2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)prop-2-enoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-thiophen-2-ylprop-2-enoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(E)-3-(2-thienyl)acryloyl]amino]ethyl-dimethyl-ammonium Formula: C19H21ClN3OS2+ MolecularWeight: 406.97254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C=CC3=CC=CS3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)/C=C/C3=CC=CS3)Cl

InChI

InChI=1S/C19H20ClN3OS2/c1-13-11-14(20)12-16-18(13)21-19(26-16)23(9-8-22(2)3)17(24)7-6-15-5-4-10-25-15/h4-7,10-12H,8-9H2,1-3H3/p+1/b7-6+