2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C20H37N4O+ MolecularWeight: 349.53398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C20H36N4O/c1-15(2)7-9-23-11-10-22(13-19(23)8-12-25)14-20-17(5)21-24(16(3)4)18(20)6/h7,16,19,25H,8-14H2,1-6H3/p+1/t19-/m0/s1