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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-phenethyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-phenethyl-triazole-4-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-phenylethyl]-1-phenethyl-4-triazolecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenylethyl]-1-phenethyltriazole-4-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-ethyl]-1-phenethyl-triazole-4-carboxamide Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CN(N=N2)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O/c31-25(23-20-30(28-27-23)18-15-21-11-5-3-6-12-21)26-19-24(22-13-7-4-8-14-22)29-16-9-1-2-10-17-29/h3-8,11-14,20,24H,1-2,9-10,15-19H2,(H,26,31)/p+1/t24-/m0/s1