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

Systemtic Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-benzyloxyphenyl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(1-methyl-4-piperidinyl)-4-[(3-phenylmethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(1-methylpiperidin-4-yl)-4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-benzoxybenzyl)-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C26H38N3O2+ MolecularWeight: 424.59882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H37N3O2/c1-27-13-10-24(11-14-27)29-16-15-28(20-25(29)12-17-30)19-23-8-5-9-26(18-23)31-21-22-6-3-2-4-7-22/h2-9,18,24-25,30H,10-17,19-21H2,1H3/p+1/t25-/m0/s1