(4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide

Systemtic Name: (4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Openeye Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide CAS Name: (4-methyl-4-propan-2-yl-1-piperazin-4-iumyl)-(1-phenylcyclohexyl)methanone iodide IUPAC Name: (4-methyl-4-propan-2-ylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Traditional Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Formula: C21H33IN2O MolecularWeight: 456.40399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O.HI/c1-18(2)23(3)16-14-22(15-17-23)20(24)21(12-8-5-9-13-21)19-10-6-4-7-11-19;/h4,6-7,10-11,18H,5,8-9,12-17H2,1-3H3;1H/q+1;/p-1