2-[(E)-(5,5-dimethyl-3-piperidin-1-yl-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-yl-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-[5,5-dimethyl-3-(1-piperidyl)cyclohex-2-en-1-ylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-[5,5-dimethyl-3-(1-piperidinyl)-1-cyclohex-2-enylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-(5,5-dimethyl-3-piperidino-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Formula: C23H31IN2S MolecularWeight: 494.47511

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)N4CCCCC4)(C)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\CC(CC(=C3)N4CCCCC4)(C)C.[I-]

InChI

InChI=1S/C23H31N2S.HI/c1-4-25-20-10-6-7-11-21(20)26-22(25)15-18-14-19(17-23(2,3)16-18)24-12-8-5-9-13-24;/h6-7,10-11,14-15H,4-5,8-9,12-13,16-17H2,1-3H3;1H/q+1;/p-1