2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-benzyloxyphenyl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[(4-phenylmethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-benzoxybenzyl)-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C27H34N3O2+ MolecularWeight: 432.57776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2CCO)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O2/c1-22-6-5-9-25(28-22)19-30-16-15-29(20-26(30)14-17-31)18-23-10-12-27(13-11-23)32-21-24-7-3-2-4-8-24/h2-13,26,31H,14-21H2,1H3/p+1/t26-/m0/s1