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

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[(3-methylbenzoyl)amino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[(3-methylbenzoyl)amino]-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-(m-toluoylamino)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C27H29N3O2/c1-20-7-6-8-23(17-20)26(31)29-25-10-3-2-9-24(25)27(32)28-18-21-11-13-22(14-12-21)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