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

Systemtic Name: 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Openeye Name: 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium IUPAC Name: 1-(4-phenylcyclohexyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-(4-phenylcyclohexyl)-4-(3,4,5-trimethoxybenzyl)piperazin-1-ium Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H36N2O3/c1-29-24-17-20(18-25(30-2)26(24)31-3)19-27-13-15-28(16-14-27)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-8,17-18,22-23H,9-16,19H2,1-3H3/p+1