(3-azanyl-3-oxidanylidene-propyl)-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-(3-amino-3-oxo-propyl)-benzyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-(3-amino-3-oxopropyl)-(phenylmethyl)ammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-(3-amino-3-oxopropyl)-benzylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-(3-amino-3-keto-propyl)-benzyl-ammonium Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O3/c1-15(24)17-8-5-9-18(12-17)22-20(26)14-23(11-10-19(21)25)13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,21,25)(H,22,26)/p+1