(3S)-1-(1H-pyrazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1H-pyrazol-5-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=NN2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C19H22N6O/c26-19(15-4-2-10-24(13-15)14-17-7-9-20-23-17)22-16-5-1-6-18(12-16)25-11-3-8-21-25/h1,3,5-9,11-12,15H,2,4,10,13-14H2,(H,20,23)(H,22,26)/p+1/t15-/m0/s1