(3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium

Systemtic Name: (3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Openeye Name: (3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium CAS Name: (3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium IUPAC Name: (3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Traditional Name: (3S)-3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium Formula: C18H22N5+ MolecularWeight: 308.40078

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C18H21N5/c1-2-5-14(6-3-1)17-11-20-22-18(17)15-7-4-10-23(12-15)13-16-8-9-19-21-16/h1-3,5-6,8-9,11,15H,4,7,10,12-13H2,(H,19,21)(H,20,22)/p+1/t15-/m0/s1