4-(5-bromanylthiophen-2-yl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one bromide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one bromide Openeye Name: 4-(5-bromo-2-thienyl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one bromide CAS Name: 4-(5-bromo-2-thiophenyl)-4-cyclohexyl-1,1,2-trimethyl-3-piperidin-1-iumone bromide IUPAC Name: 4-(5-bromothiophen-2-yl)-4-cyclohexyl-1,1,2-trimethylpiperidin-1-ium-3-one bromide Traditional Name: 4-(5-bromo-2-thienyl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one bromide Formula: C18H27Br2NOS MolecularWeight: 465.28608

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(CC[N+]1(C)C)(C2CCCCC2)C3=CC=C(S3)Br.[Br-]

Isomeric SMILES

CC1C(=O)C(CC[N+]1(C)C)(C2CCCCC2)C3=CC=C(S3)Br.[Br-]

InChI

InChI=1S/C18H27BrNOS.BrH/c1-13-17(21)18(11-12-20(13,2)3,14-7-5-4-6-8-14)15-9-10-16(19)22-15;/h9-10,13-14H,4-8,11-12H2,1-3H3;1H/q+1;/p-1