2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-methoxyphenyl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-m-anisyl-1-[(6-methyl-2-pyridyl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-17-5-3-7-19(22-17)15-24-11-10-23(16-20(24)9-12-25)14-18-6-4-8-21(13-18)26-2/h3-8,13,20,25H,9-12,14-16H2,1-2H3/p+1/t20-/m0/s1