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

Systemtic Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-4-pyrazolyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethylpyrazol-4-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCN1C=C(C=N1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-2-26-16-17(14-23-26)15-25-12-4-3-6-20(25)21(28)24-18-7-9-19(10-8-18)27-13-5-11-22-27/h5,7-11,13-14,16,20H,2-4,6,12,15H2,1H3,(H,24,28)/p+1/t20-/m0/s1