(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(2-methylthiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(2-methyl-5-thiazolyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(2-methylthiazol-5-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-2-carboxamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H23N5OS/c1-15-21-13-18(27-15)14-24-11-3-2-5-19(24)20(26)23-16-6-8-17(9-7-16)25-12-4-10-22-25/h4,6-10,12-13,19H,2-3,5,11,14H2,1H3,(H,23,26)/p+1/t19-/m0/s1