(4-dimethylaminophenyl)methyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (4-dimethylaminophenyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(4-carbethoxyanilino)-2-keto-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-5-27-21(26)17-8-10-18(11-9-17)22-20(25)15-24(4)14-16-6-12-19(13-7-16)23(2)3/h6-13H,5,14-15H2,1-4H3,(H,22,25)/p+1