(3-ethanoylphenyl)-[1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-ylidene]azanium

Systemtic Name: (3-ethanoylphenyl)-[1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-ylidene]azanium Openeye Name: (3-acetylphenyl)-[1-methyl-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethylidene]ammonium CAS Name: (3-acetylphenyl)-[1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-ylidene]ammonium IUPAC Name: (3-acetylphenyl)-[1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)propan-2-ylidene]azanium Traditional Name: (3-acetylphenyl)-[1-methyl-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethylidene]ammonium Formula: C19H20N2OS+2 MolecularWeight: 324.4399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=[NH+]C1=CC=CC(=C1)C(=O)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/h4-10,12H,11H2,1-3H3/q+1/p+1