N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-pyrazol-1-yl-benzamide Formula: C19H22N5OS+ MolecularWeight: 368.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H21N5OS/c25-18(15-5-7-17(8-6-15)24-12-4-9-20-24)22-19-21-16(14-26-19)13-23-10-2-1-3-11-23/h4-9,12,14H,1-3,10-11,13H2,(H,21,22,25)/p+1