3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-2-benzamido-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-2-benzamido-3-(4-chlorophenyl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=CC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C(=C\C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24ClN3O2/c1-25(2)14-6-13-23-21(27)19(15-16-9-11-18(22)12-10-16)24-20(26)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/b19-15+