1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine

Systemtic Name: 1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine Openeye Name: 1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine CAS Name: 1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine Traditional Name: 1-phenyl-4-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]piperazine Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H35N3O3/c1-29-23-17-20(18-24(30-2)25(23)31-3)19-26-11-9-22(10-12-26)28-15-13-27(14-16-28)21-7-5-4-6-8-21/h4-8,17-18,22H,9-16,19H2,1-3H3/p+1