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

Systemtic Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-4-pyrazolyl)methyl]-1-(1-methyl-4-piperidinyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-(1-methyl-4-piperidyl)piperazin-1-ium-2-yl]ethanol Formula: C18H34N5O+ MolecularWeight: 336.49546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN2CC[NH+](C(C2)CCO)C3CCN(CC3)C

Isomeric SMILES

CCN1C=C(C=N1)CN2CC[NH+]([C@H](C2)CCO)C3CCN(CC3)C

InChI

InChI=1S/C18H33N5O/c1-3-22-14-16(12-19-22)13-21-9-10-23(18(15-21)6-11-24)17-4-7-20(2)8-5-17/h12,14,17-18,24H,3-11,13,15H2,1-2H3/p+1/t18-/m0/s1