4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl]benzenesulfonamide iodide

Systemtic Name: 4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl]benzenesulfonamide iodide Openeye Name: 4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl]benzenesulfonamide iodide CAS Name: 4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]ethyl]benzenesulfonamide iodide IUPAC Name: 4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl]benzenesulfonamide iodide Traditional Name: 4-[2-[2,6-dimethyl-4-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethyl]benzenesulfonamide iodide Formula: C24H26IN3O2S2 MolecularWeight: 579.51661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C)C=C3N(C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCC2=CC=C(C=C2)S(=O)(=O)N)C)/C=C\3/N(C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C24H26N3O2S2.HI/c1-17-14-20(16-24-26(3)22-6-4-5-7-23(22)30-24)15-18(2)27(17)13-12-19-8-10-21(11-9-19)31(25,28)29;/h4-11,14-16H,12-13H2,1-3H3,(H2,25,28,29);1H/q+1;/p-1