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

Systemtic Name: (4-methyl-4-propan-2-yl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone Openeye Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone CAS Name: (4-methyl-4-propan-2-yl-1-piperazin-4-iumyl)-(1-phenylcyclohexyl)methanone IUPAC Name: (4-methyl-4-propan-2-ylpiperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone Traditional Name: (4-isopropyl-4-methyl-piperazin-4-ium-1-yl)-(1-phenylcyclohexyl)methanone Formula: C21H33N2O+ MolecularWeight: 329.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N2O/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/q+1