[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-methoxycarbonylphenyl)methyl]azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(4-methoxycarbonylphenyl)methyl]azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-(4-carbomethoxybenzyl)-ethyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)C(=O)OC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)C(=O)OC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H25N3O4/c1-4-24(13-16-5-7-17(8-6-16)21(27)28-3)14-20(26)23-19-11-9-18(10-12-19)22-15(2)25/h5-12H,4,13-14H2,1-3H3,(H,22,25)(H,23,26)/p+1