2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(Z)-2-benzamido-3-(3,4-dimethoxyphenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](C)CCNC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-25(2)13-12-23-22(27)18(24-21(26)17-8-6-5-7-9-17)14-16-10-11-19(28-3)20(15-16)29-4/h5-11,14-15H,12-13H2,1-4H3,(H,23,27)(H,24,26)/p+1/b18-14-