N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]ethanamide

Systemtic Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]ethanamide Openeye Name: N-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide CAS Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide IUPAC Name: N-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide Traditional Name: N-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium-6-yl]acetamide Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)NC(=O)C)C=CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)NC(=O)C)/C=C/C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H23N3OS/c1-5-24-19-12-9-17(22-15(2)25)14-20(19)26-21(24)13-8-16-6-10-18(11-7-16)23(3)4/h6-14H,5H2,1-4H3/p+1