N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide Openeye Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide CAS Name: N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]nicotinamide Formula: C24H26N3O+ MolecularWeight: 372.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H25N3O/c28-24(22-7-5-13-25-16-22)26-17-21-6-1-2-8-23(21)20-11-9-19(10-12-20)18-27-14-3-4-15-27/h1-2,5-13,16H,3-4,14-15,17-18H2,(H,26,28)/p+1