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

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: (3-amino-3-oxo-propyl)-benzyl-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: (3-amino-3-oxopropyl)-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: (3-amino-3-oxopropyl)-benzyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium Traditional Name: (3-amino-3-keto-propyl)-benzyl-[2-(2-carbomethoxyanilino)-2-keto-ethyl]ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-27-20(26)16-9-5-6-10-17(16)22-19(25)14-23(12-11-18(21)24)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H2,21,24)(H,22,25)/p+1