1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2,4,5-trimethoxybenzyl)piperazin-4-ium Formula: C26H39N3O3+2 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H37N3O3/c1-30-24-18-26(32-3)25(31-2)17-22(24)20-28-13-15-29(16-14-28)23-9-11-27(12-10-23)19-21-7-5-4-6-8-21/h4-8,17-18,23H,9-16,19-20H2,1-3H3/p+2