2-chloranylethanoyl-(2,6-dimethylcyclohexen-1-yl)-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-phenyl-azanium

Systemtic Name: 2-chloranylethanoyl-(2,6-dimethylcyclohexen-1-yl)-[(2-oxidanylidene-1,3-benzothiazol-3-yl)methyl]-phenyl-azanium Openeye Name: (2-chloroacetyl)-(2,6-dimethylcyclohexen-1-yl)-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-phenyl-ammonium CAS Name: (2-chloro-1-oxoethyl)-(2,6-dimethyl-1-cyclohexenyl)-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-phenylammonium IUPAC Name: (2-chloroacetyl)-(2,6-dimethylcyclohexen-1-yl)-[(2-oxo-1,3-benzothiazol-3-yl)methyl]-phenylazanium Traditional Name: (2-chloroacetyl)-(2,6-dimethylcyclohexen-1-yl)-[(2-keto-1,3-benzothiazol-3-yl)methyl]-phenyl-ammonium Formula: C24H26ClN2O2S+ MolecularWeight: 441.99344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=C1[N+](CN2C3=CC=CC=C3SC2=O)(C4=CC=CC=C4)C(=O)CCl)C

Isomeric SMILES

CC1CCCC(=C1[N+](CN2C3=CC=CC=C3SC2=O)(C4=CC=CC=C4)C(=O)CCl)C

InChI

InChI=1S/C24H26ClN2O2S/c1-17-9-8-10-18(2)23(17)27(22(28)15-25,19-11-4-3-5-12-19)16-26-20-13-6-7-14-21(20)30-24(26)29/h3-7,11-14,17H,8-10,15-16H2,1-2H3/q+1