(3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[3-(1-pyrazolyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(3-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O/c28-21(24-19-7-1-8-20(16-19)27-15-4-10-23-27)18-6-2-11-25(17-18)12-5-14-26-13-3-9-22-26/h1,3-4,7-10,13,15-16,18H,2,5-6,11-12,14,17H2,(H,24,28)/p+1/t18-/m0/s1