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

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(3-phenoxyphenyl)methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(3-phenoxyphenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(3-phenoxyphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-(3-phenoxybenzyl)ammonium Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C27H29N3O3/c1-20(31)29-24-15-22(14-23(17-24)27(32)30-12-5-6-13-30)19-28-18-21-8-7-11-26(16-21)33-25-9-3-2-4-10-25/h2-4,7-11,14-17,28H,5-6,12-13,18-19H2,1H3,(H,29,31)/p+1