2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethoxyphenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3,5-dimethoxybenzyl)-1-(1-methylpiperidin-1-ium-4-yl)piperazin-4-ium-2-yl]ethanol Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N2CC[NH+](CC2CCO)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

C[NH+]1CCC(CC1)N2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H35N3O3/c1-22-7-4-18(5-8-22)24-10-9-23(16-19(24)6-11-25)15-17-12-20(26-2)14-21(13-17)27-3/h12-14,18-19,25H,4-11,15-16H2,1-3H3/p+2/t19-/m0/s1