1-[3-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ylamino]phenyl]ethanone

Systemtic Name: 1-[3-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ylamino]phenyl]ethanone Openeye Name: 1-[3-[1-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]vinylamino]phenyl]ethanone CAS Name: 1-[3-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ylamino]phenyl]ethanone IUPAC Name: 1-[3-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ylamino]phenyl]ethanone Traditional Name: 1-[3-[1-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methyl]vinylamino]phenyl]ethanone Formula: C19H19N2OS+ MolecularWeight: 323.43196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=C)CC2=[N+](C3=CC=CC=C3S2)C

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=C)CC2=[N+](C3=CC=CC=C3S2)C

InChI

InChI=1S/C19H19N2OS/c1-13(20-16-8-6-7-15(12-16)14(2)22)11-19-21(3)17-9-4-5-10-18(17)23-19/h4-10,12,20H,1,11H2,2-3H3/q+1