(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium

Systemtic Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium Openeye Name: (3S)-3-(4-isobutyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium CAS Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium IUPAC Name: (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2S)-2-phenylpropyl]piperidin-1-ium Traditional Name: (3S)-3-(4-isobutyl-1H-pyrazol-5-yl)-1-[(2S)-2-phenylpropyl]piperidin-1-ium Formula: C21H32N3+ MolecularWeight: 326.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NN=C1)C2CCC[NH+](C2)CC(C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C[NH+]1CCC[C@@H](C1)C2=C(C=NN2)CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,13,16-17,19H,7,10-12,14-15H2,1-3H3,(H,22,23)/p+1/t17-,19+/m1/s1