(3S)-3-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium

Systemtic Name: (3S)-3-[(4-cyclohexyl-1,2,3-triazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium CAS Name: (3S)-3-[(4-cyclohexyl-1-triazolyl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-[(4-cyclohexyltriazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium Formula: C18H29N6+ MolecularWeight: 329.46306

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CN(N=N2)CC3CCC[NH+](C3)CC4=NC=CN4

Isomeric SMILES

C1CCC(CC1)C2=CN(N=N2)C[C@H]3CCC[NH+](C3)CC4=NC=CN4

InChI

InChI=1S/C18H28N6/c1-2-6-16(7-3-1)17-13-24(22-21-17)12-15-5-4-10-23(11-15)14-18-19-8-9-20-18/h8-9,13,15-16H,1-7,10-12,14H2,(H,19,20)/p+1/t15-/m0/s1