(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C23H30N6O/c1-17(2)12-20-13-21(27-26-20)16-28-10-4-6-18(15-28)23(30)25-19-7-3-8-22(14-19)29-11-5-9-24-29/h3,5,7-9,11,13-14,17-18H,4,6,10,12,15-16H2,1-2H3,(H,25,30)(H,26,27)/p+1/t18-/m0/s1