[2-[[[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(E)-3-(4-methoxycarbonylphenyl)-1-oxoprop-2-enyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[(E)-3-(4-methoxycarbonylphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[(E)-3-(4-carbomethoxyphenyl)acryloyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H24N2O3/c1-23(2)15-19-7-5-4-6-18(19)14-22-20(24)13-10-16-8-11-17(12-9-16)21(25)26-3/h4-13H,14-15H2,1-3H3,(H,22,24)/p+1/b13-10+