(2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone CAS Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2,3-dimethoxyphenyl)-[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)N2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c1-29-23-10-6-9-22(24(23)30-2)25(28)27-17-15-26(16-18-27)21-13-11-20(12-14-21)19-7-4-3-5-8-19/h3-10,20-21H,11-18H2,1-2H3/p+1