[4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(4-phenylcyclohexyl)-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(4-phenylcyclohexyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-30-23-17-21(18-24(31-2)25(23)32-3)26(29)28-15-13-27(14-16-28)22-11-9-20(10-12-22)19-7-5-4-6-8-19/h4-8,17-18,20,22H,9-16H2,1-3H3/p+1