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

Systemtic Name: 2-[(2S)-4-[(6-methylpyridin-2-yl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-methyl-2-pyridyl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(6-methyl-2-pyridinyl)methyl]-1-phenethyl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(6-methylpyridin-2-yl)methyl]-1-phenethylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(6-methyl-2-pyridyl)methyl]-1-phenethyl-piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-18-6-5-9-20(22-18)16-23-13-14-24(21(17-23)11-15-25)12-10-19-7-3-2-4-8-19/h2-9,21,25H,10-17H2,1H3/p+1/t21-/m0/s1