(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-(phenylmethyl)azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-benzyl-ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-benzylazanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-benzyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O2/c1-16(25)23-20-12-18(15-22-14-17-7-3-2-4-8-17)11-19(13-20)21(26)24-9-5-6-10-24/h2-4,7-8,11-13,22H,5-6,9-10,14-15H2,1H3,(H,23,25)/p+1