2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-1-isobutyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-1-(2-methylpropyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2,5-dimethylphenyl)methyl]-1-(2-methylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(2,5-dimethylbenzyl)-1-isobutyl-piperazin-1-ium-2-yl]ethanol Formula: C19H33N2O+ MolecularWeight: 305.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CC[NH+](C(C2)CCO)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CC[NH+]([C@H](C2)CCO)CC(C)C

InChI

InChI=1S/C19H32N2O/c1-15(2)12-21-9-8-20(14-19(21)7-10-22)13-18-11-16(3)5-6-17(18)4/h5-6,11,15,19,22H,7-10,12-14H2,1-4H3/p+1/t19-/m0/s1