| Properties | Image |
MNX_ID | MNXM160749 |
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reference | keggD:D05682 |
formula | C13H22ClN3 |
global charge | 0 |
mol weight | 255.793 |
InChIKey | HJHVRVJTYPKTHX-HTMVYDOJSA-N |
InChI | InChI=1S/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10-,13-;/m1./s1 |
SMILES | CCCN1CCC[C@@H]2CC3=C(C=NN3)C[C@H]21.Cl |
MNX internals
InChI (mnx) | InChI=1/C13H21N3.ClH/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12;/h9-10,13H,2-8H2,1H3,(H,14,15);1H/t10-,13-;/m1./s1 |
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SMILES (mnx) | [CH3:1][CH2:2][CH2:5][N:16]1[CH2:6][CH2:3][CH2:4][C@@H:10]2[CH2:7][C:12]3=[N:15][NH:14][CH:9]=[C:11]3[CH2:8][C@H:13]21.[ClH:17] |
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