N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(4-phenylthiazol-2-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[2-(4-phenyl-2-thiazolyl)ethyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[2-(4-phenylthiazol-2-yl)ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C21H27N6OS+ MolecularWeight: 411.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6OS/c28-21(18-15-27(25-24-18)14-13-26-11-5-2-6-12-26)22-10-9-20-23-19(16-29-20)17-7-3-1-4-8-17/h1,3-4,7-8,15-16H,2,5-6,9-14H2,(H,22,28)/p+1