N-[(4-morpholin-4-ylphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[(4-morpholin-4-ylphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(4-morpholinophenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[[4-(4-morpholinyl)phenyl]methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(4-morpholin-4-ylphenyl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-(4-morpholinobenzyl)-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H30N6O2/c28-21(20-17-27(24-23-20)11-10-25-8-2-1-3-9-25)22-16-18-4-6-19(7-5-18)26-12-14-29-15-13-26/h4-7,17H,1-3,8-16H2,(H,22,28)/p+1