(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[4-(2-methylphenyl)phenyl]methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[4-(2-methylphenyl)phenyl]methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[4-(o-tolyl)phenyl]methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[[4-(2-methylphenyl)phenyl]methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[4-(2-methylphenyl)phenyl]methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[4-(o-tolyl)benzyl]ammonium Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CCCC4)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CCCC4)NC(=O)C

InChI

InChI=1S/C28H31N3O2/c1-20-7-3-4-8-27(20)24-11-9-22(10-12-24)18-29-19-23-15-25(17-26(16-23)30-21(2)32)28(33)31-13-5-6-14-31/h3-4,7-12,15-17,29H,5-6,13-14,18-19H2,1-2H3,(H,30,32)/p+1