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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-4-pyrrol-1-yl-benzamide Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C23H25N3O/c27-23(19-9-11-22(12-10-19)26-15-5-6-16-26)24-17-20-7-1-2-8-21(20)18-25-13-3-4-14-25/h1-2,5-12,15-16H,3-4,13-14,17-18H2,(H,24,27)/p+1