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

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one Openeye Name: 4-(5-bromo-2-thienyl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one CAS Name: 4-(5-bromo-2-thiophenyl)-4-cyclohexyl-1,1,2-trimethyl-3-piperidin-1-iumone IUPAC Name: 4-(5-bromothiophen-2-yl)-4-cyclohexyl-1,1,2-trimethylpiperidin-1-ium-3-one Traditional Name: 4-(5-bromo-2-thienyl)-4-cyclohexyl-1,1,2-trimethyl-piperidin-1-ium-3-one Formula: C18H27BrNOS+ MolecularWeight: 385.38208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27BrNOS/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/q+1