2,6-dimethoxy-4-[[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 2,6-dimethoxy-4-[[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O3/c1-30-23-16-21(17-24(31-2)25(23)29)19-27-12-14-28(15-13-27)22-8-10-26(11-9-22)18-20-6-4-3-5-7-20/h3-7,16-17,22,29H,8-15,18-19H2,1-2H3/p+2