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

Systemtic Name: 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: 2-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: 2-phenyl-N-[2-[1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: 2-phenyl-N-[2-[1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: 2-phenyl-N-[2-[1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C20H24N5OS+ MolecularWeight: 382.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C20H23N5OS/c26-19(14-16-4-2-1-3-5-16)23-18-6-9-22-25(18)17-7-11-24(12-8-17)15-20-21-10-13-27-20/h1-6,9-10,13,17H,7-8,11-12,14-15H2,(H,23,26)/p+1