1-phenethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-phenethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenethyl-triazole-4-carboxamide CAS Name: 1-phenethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenethyltriazole-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-phenethyl-triazole-4-carboxamide Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c29-23(22-18-28(26-25-22)16-11-19-7-3-1-4-8-19)24-21-12-14-27(15-13-21)17-20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,24,29)/p+1