[3-(1-adamantyl)-4-methoxy-phenyl]-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(1-adamantyl)-4-methoxy-phenyl]-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Openeye Name: [3-(1-adamantyl)-4-methoxy-phenyl]-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone CAS Name: [3-(1-adamantyl)-4-methoxyphenyl]-[4-(1-phenylcyclohexyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [3-(1-adamantyl)-4-methoxyphenyl]-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Traditional Name: [3-(1-adamantyl)-4-methoxy-phenyl]-[4-(1-phenylcyclohexyl)piperazin-4-ium-1-yl]methanone Formula: C34H45N2O2+ MolecularWeight: 513.7333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3(CCCCC3)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C3(CCCCC3)C4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C34H44N2O2/c1-38-31-11-10-28(21-30(31)33-22-25-18-26(23-33)20-27(19-25)24-33)32(37)35-14-16-36(17-15-35)34(12-6-3-7-13-34)29-8-4-2-5-9-29/h2,4-5,8-11,21,25-27H,3,6-7,12-20,22-24H2,1H3/p+1