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

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(4-carbethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-4-14-28-20-12-6-17(7-13-20)15-24(3)16-21(25)23-19-10-8-18(9-11-19)22(26)27-5-2/h4,6-13H,1,5,14-16H2,2-3H3,(H,23,25)/p+1