4-cyclohexyl-1,1,2-trimethyl-4-thiophen-2-yl-piperidin-1-ium-3-one bromide

Systemtic Name: 4-cyclohexyl-1,1,2-trimethyl-4-thiophen-2-yl-piperidin-1-ium-3-one bromide Openeye Name: 4-cyclohexyl-1,1,2-trimethyl-4-(2-thienyl)piperidin-1-ium-3-one bromide CAS Name: 4-cyclohexyl-1,1,2-trimethyl-4-thiophen-2-yl-3-piperidin-1-iumone bromide IUPAC Name: 4-cyclohexyl-1,1,2-trimethyl-4-thiophen-2-ylpiperidin-1-ium-3-one bromide Traditional Name: 4-cyclohexyl-1,1,2-trimethyl-4-(2-thienyl)piperidin-1-ium-3-one bromide Formula: C18H28BrNOS MolecularWeight: 386.39002

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C(CC[N+]1(C)C)(C2CCCCC2)C3=CC=CS3.[Br-]

Isomeric SMILES

CC1C(=O)C(CC[N+]1(C)C)(C2CCCCC2)C3=CC=CS3.[Br-]

InChI

InChI=1S/C18H28NOS.BrH/c1-14-17(20)18(11-12-19(14,2)3,16-10-7-13-21-16)15-8-5-4-6-9-15;/h7,10,13-15H,4-6,8-9,11-12H2,1-3H3;1H/q+1;/p-1