(4,4-dimethylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide

Systemtic Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Openeye Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide CAS Name: (4,4-dimethyl-1-piperazin-4-iumyl)-(1-phenylcyclohexyl)methanone iodide IUPAC Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Traditional Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone iodide Formula: C19H29IN2O MolecularWeight: 428.35083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N2O.HI/c1-21(2)15-13-20(14-16-21)18(22)19(11-7-4-8-12-19)17-9-5-3-6-10-17;/h3,5-6,9-10H,4,7-8,11-16H2,1-2H3;1H/q+1;/p-1