(3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-pyrazol-5-yl)phenyl]-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=C(C=C3)C4=CC=NN4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)C(=O)NC3=CC=C(C=C3)C4=CC=NN4

InChI

InChI=1S/C21H26N6O/c28-21(24-19-7-5-17(6-8-19)20-9-11-22-25-20)18-4-1-12-26(16-18)13-3-15-27-14-2-10-23-27/h2,5-11,14,18H,1,3-4,12-13,15-16H2,(H,22,25)(H,24,28)/p+1/t18-/m0/s1