(2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-methyl-4-pyrazolyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-methylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H24N6O/c1-24-14-16(13-22-24)15-25-11-3-2-5-19(25)20(27)23-17-6-8-18(9-7-17)26-12-4-10-21-26/h4,6-10,12-14,19H,2-3,5,11,15H2,1H3,(H,23,27)/p+1/t19-/m0/s1