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

Systemtic Name: 2-[4-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(2,3,4-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=C(C(=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)CCO)OC)OC

InChI

InChI=1S/C21H35N3O4/c1-26-19-5-4-17(20(27-2)21(19)28-3)16-23-8-6-18(7-9-23)24-12-10-22(11-13-24)14-15-25/h4-5,18,25H,6-16H2,1-3H3/p+2