N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-[(2-methyl-5-thiazolyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(S4)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(S4)C)C

InChI

InChI=1S/C22H27N5OS/c1-15-12-16(2)27(25-15)20-6-4-19(5-7-20)24-22(28)18-8-10-26(11-9-18)14-21-13-23-17(3)29-21/h4-7,12-13,18H,8-11,14H2,1-3H3,(H,24,28)/p+1