naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-naphthyl-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone CAS Name: 1-naphthalenyl-[4-(4-phenylcyclohexyl)-1-piperazin-4-iumyl]methanone IUPAC Name: naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1-naphthyl-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Formula: C27H31N2O+ MolecularWeight: 399.54784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H30N2O/c30-27(26-12-6-10-23-9-4-5-11-25(23)26)29-19-17-28(18-20-29)24-15-13-22(14-16-24)21-7-2-1-3-8-21/h1-12,22,24H,13-20H2/p+1