N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H24N5O+ MolecularWeight: 362.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H23N5O/c27-21(17-7-9-20(10-8-17)26-16-22-15-24-26)23-13-18-5-1-2-6-19(18)14-25-11-3-4-12-25/h1-2,5-10,15-16H,3-4,11-14H2,(H,23,27)/p+1