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

Systemtic Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-ium-1-yl-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-ium-1-yl-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-[5,5-dimethyl-3-(1-piperidin-1-iumyl)-1-cyclohex-2-enylidene]methyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-ium-1-ylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-(5,5-dimethyl-3-piperidin-1-ium-1-yl-cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C23H32N2S+2 MolecularWeight: 368.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)[NH+]4CCCCC4)(C)C

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/3\CC(CC(=C3)[NH+]4CCCCC4)(C)C

InChI

InChI=1S/C23H31N2S/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/q+1/p+1