2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C18H35N4O+ MolecularWeight: 323.4967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H34N4O/c1-5-22-13-17(16(4)19-22)12-20-9-10-21(8-6-15(2)3)18(14-20)7-11-23/h13,15,18,23H,5-12,14H2,1-4H3/p+1/t18-/m0/s1