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

Systemtic Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-4-pyrazolyl)methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C13H25N4O+ MolecularWeight: 253.3638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N4O/c1-3-17-10-12(8-14-17)9-16-6-5-15(2)13(11-16)4-7-18/h8,10,13,18H,3-7,9,11H2,1-2H3/p+1/t13-/m0/s1