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

Systemtic Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-1-(2-thiazolylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-carboxamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC=CS4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=NC=CS4)C

InChI

InChI=1S/C21H25N5OS/c1-15-13-16(2)26(24-15)19-5-3-18(4-6-19)23-21(27)17-7-10-25(11-8-17)14-20-22-9-12-28-20/h3-6,9,12-13,17H,7-8,10-11,14H2,1-2H3,(H,23,27)/p+1