3-acetamido-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide

Systemtic Name: 3-acetamido-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide Openeye Name: 3-acetamido-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide CAS Name: 3-acetamido-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]benzamide IUPAC Name: 3-acetamido-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]benzamide Traditional Name: 3-acetamido-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C27H29N3O2/c1-20(31)29-25-9-6-8-23(17-25)27(32)28-18-24-7-2-3-10-26(24)22-13-11-21(12-14-22)19-30-15-4-5-16-30/h2-3,6-14,17H,4-5,15-16,18-19H2,1H3,(H,28,32)(H,29,31)/p+1