2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-methylbut-2-enyl)-4-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C19H35N4O+ MolecularWeight: 335.5074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)CN2CC[NH+](C(C2)CCO)CC=C(C)C

Isomeric SMILES

CCCN1C=C(C(=N1)C)CN2CC[NH+]([C@H](C2)CCO)CC=C(C)C

InChI

InChI=1S/C19H34N4O/c1-5-8-23-14-18(17(4)20-23)13-21-10-11-22(9-6-16(2)3)19(15-21)7-12-24/h6,14,19,24H,5,7-13,15H2,1-4H3/p+1/t19-/m0/s1