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

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(4-phenylphenyl)methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(4-phenylphenyl)methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(4-phenylphenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(4-phenylphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-(4-phenylbenzyl)ammonium Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

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