(2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-1-(1H-imidazol-3-ium-5-ylmethyl)-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C19H24N6O+2 MolecularWeight: 352.43346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=C[NH+]=CN4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=C[NH+]=CN4

InChI

InChI=1S/C19H22N6O/c26-19(18-4-1-2-10-24(18)13-16-12-20-14-21-16)23-15-5-7-17(8-6-15)25-11-3-9-22-25/h3,5-9,11-12,14,18H,1-2,4,10,13H2,(H,20,21)(H,23,26)/p+2/t18-/m1/s1