6-[cyclohexyl(methyl)amino]-1-methyl-1-benzothiophen-1-ium-3-one bromide

Systemtic Name: 6-[cyclohexyl(methyl)amino]-1-methyl-1-benzothiophen-1-ium-3-one bromide Openeye Name: 6-[cyclohexyl(methyl)amino]-1-methyl-benzothiophen-1-ium-3-one bromide CAS Name: 6-[cyclohexyl(methyl)amino]-1-methyl-1-benzothiophen-1-ium-3-one bromide IUPAC Name: 6-[cyclohexyl(methyl)amino]-1-methyl-1-benzothiophen-1-ium-3-one bromide Traditional Name: 6-[cyclohexyl(methyl)amino]-1-methyl-benzothiophen-1-ium-3-one bromide Formula: C16H22BrNOS MolecularWeight: 356.32098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=CC3=C(C=C2)C(=O)C[S+]3C.[Br-]

Isomeric SMILES

CN(C1CCCCC1)C2=CC3=C(C=C2)C(=O)C[S+]3C.[Br-]

InChI

InChI=1S/C16H22NOS.BrH/c1-17(12-6-4-3-5-7-12)13-8-9-14-15(18)11-19(2)16(14)10-13;/h8-10,12H,3-7,11H2,1-2H3;1H/q+1;/p-1