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

Systemtic Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C17H33N4O+ MolecularWeight: 309.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2CC[NH+](C(C2)CCO)CCC(C)C)C

Isomeric SMILES

CC1=NN(C=C1CN2CC[NH+]([C@H](C2)CCO)CCC(C)C)C

InChI

InChI=1S/C17H32N4O/c1-14(2)5-7-21-9-8-20(13-17(21)6-10-22)12-16-11-19(4)18-15(16)3/h11,14,17,22H,5-10,12-13H2,1-4H3/p+1/t17-/m0/s1