1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[(1S,3R)-3-methylcyclohexyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C25H33N2O+ MolecularWeight: 377.54232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O/c1-20-9-8-14-23(19-20)26-15-17-27(18-16-26)25(28)24(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,20,23-24H,8-9,14-19H2,1H3/p+1/t20-,23+/m1/s1