1-cyclohexyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-cyclohexyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-cyclohexyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]triazole-4-carboxamide CAS Name: 1-cyclohexyl-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: 1-cyclohexyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]triazole-4-carboxamide Traditional Name: 1-cyclohexyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]triazole-4-carboxamide Formula: C22H32N5O+ MolecularWeight: 382.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C=C(N=N2)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)N2C=C(N=N2)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N5O/c28-22(20-17-27(25-24-20)19-12-6-2-7-13-19)23-16-21(18-10-4-1-5-11-18)26-14-8-3-9-15-26/h1,4-5,10-11,17,19,21H,2-3,6-9,12-16H2,(H,23,28)/p+1/t21-/m0/s1