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

Systemtic Name: N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(4-phenylthiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: N-[(4-phenyl-5-thiazolyl)methyl]-1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolecarboxamide IUPAC Name: N-[(4-phenyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Traditional Name: N-[(4-phenylthiazol-5-yl)methyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C20H25N6OS+ MolecularWeight: 397.5171

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=C(N=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(N=N2)C(=O)NCC3=C(N=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6OS/c27-20(17-14-26(24-23-17)12-11-25-9-5-2-6-10-25)21-13-18-19(22-15-28-18)16-7-3-1-4-8-16/h1,3-4,7-8,14-15H,2,5-6,9-13H2,(H,21,27)/p+1