(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide

Systemtic Name: (4-ethyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Openeye Name: (4-ethyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide CAS Name: (4-ethyl-4-methyl-1-piperazin-4-iumyl)-(1-phenylcyclohexyl)methanone iodide IUPAC Name: (4-ethyl-4-methylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Traditional Name: (4-ethyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Formula: C20H31IN2O MolecularWeight: 442.37741

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(=O)C2(CCCCC2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(=O)C2(CCCCC2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C20H31N2O.HI/c1-3-22(2)16-14-21(15-17-22)19(23)20(12-8-5-9-13-20)18-10-6-4-7-11-18;/h4,6-7,10-11H,3,5,8-9,12-17H2,1-2H3;1H/q+1;/p-1