2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(E)-3-(2-chlorophenyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=CC=CC=C2S1)C(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3OS/c1-23(2)13-14-24(20-22-17-9-5-6-10-18(17)26-20)19(25)12-11-15-7-3-4-8-16(15)21/h3-12H,13-14H2,1-2H3/p+1/b12-11+