bis(2-cyanoethyl)-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: bis(2-cyanoethyl)-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: bis(2-cyanoethyl)-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: bis(2-cyanoethyl)-[2-(4-methoxycarbonylanilino)-2-oxoethyl]ammonium IUPAC Name: bis(2-cyanoethyl)-[2-(4-methoxycarbonylanilino)-2-oxoethyl]azanium Traditional Name: [2-(4-carbomethoxyanilino)-2-keto-ethyl]-bis(2-cyanoethyl)ammonium Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CCC#N)CCC#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](CCC#N)CCC#N

InChI

InChI=1S/C16H18N4O3/c1-23-16(22)13-4-6-14(7-5-13)19-15(21)12-20(10-2-8-17)11-3-9-18/h4-7H,2-3,10-12H2,1H3,(H,19,21)/p+1