2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C21H37N3O4+2 MolecularWeight: 395.53618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO

InChI

InChI=1S/C21H35N3O4/c1-26-19-14-17(15-20(27-2)21(19)28-3)16-23-6-4-18(5-7-23)24-10-8-22(9-11-24)12-13-25/h14-15,18,25H,4-13,16H2,1-3H3/p+2