3-(1-carbamimidoylpyrrolidin-2-yl)-N-[2-(4-methylphenyl)ethyl]benzamide hydrochloride

Systemtic Name: 3-(1-carbamimidoylpyrrolidin-2-yl)-N-[2-(4-methylphenyl)ethyl]benzamide hydrochloride Openeye Name: 3-(1-carbamimidoylpyrrolidin-2-yl)-N-[2-(p-tolyl)ethyl]benzamide hydrochloride CAS Name: 3-(1-carbamimidoyl-2-pyrrolidinyl)-N-[2-(4-methylphenyl)ethyl]benzamide hydrochloride IUPAC Name: 3-(1-carbamimidoylpyrrolidin-2-yl)-N-[2-(4-methylphenyl)ethyl]benzamide hydrochloride Traditional Name: 3-(1-amidinopyrrolidin-2-yl)-N-[2-(p-tolyl)ethyl]benzamide hydrochloride Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C3CCCN3C(=N)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C3CCCN3C(=N)N.Cl

InChI

InChI=1S/C21H26N4O.ClH/c1-15-7-9-16(10-8-15)11-12-24-20(26)18-5-2-4-17(14-18)19-6-3-13-25(19)21(22)23;/h2,4-5,7-10,14,19H,3,6,11-13H2,1H3,(H3,22,23)(H,24,26);1H