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

Systemtic Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-methyl-4-pyrazolyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H28N5O+ MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CN(N=C3)C

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3)C

InChI

InChI=1S/C18H27N5O/c1-15-4-3-5-17(20-15)13-23-8-7-22(14-18(23)6-9-24)12-16-10-19-21(2)11-16/h3-5,10-11,18,24H,6-9,12-14H2,1-2H3/p+1/t18-/m0/s1