1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(1-propan-2-yl-4-pyrazolyl)methyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1-isopropylpyrazol-4-yl)methyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CSC=N4

InChI

InChI=1S/C22H27N5OS/c1-16(2)27-13-17(11-24-27)12-26-8-6-18(7-9-26)22(28)25-20-5-3-4-19(10-20)21-14-29-15-23-21/h3-5,10-11,13-16,18H,6-9,12H2,1-2H3,(H,25,28)/p+1