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

Systemtic Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(1-ethyl-2-imidazolyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(1-ethylimidazol-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(1-ethylimidazol-2-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=CN=C1C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H26N6O/c1-2-25-15-12-22-20(25)16-26-13-4-3-6-19(26)21(28)24-17-7-9-18(10-8-17)27-14-5-11-23-27/h5,7-12,14-15,19H,2-4,6,13,16H2,1H3,(H,24,28)/p+1/t19-/m0/s1