N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(3-thienyl)thiazole-4-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-(3-thiophenyl)-4-thiazolecarboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(3-thienyl)thiazole-4-carboxamide Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C20H21N3O2S2/c24-19(18-14-27-20(22-18)17-5-10-26-13-17)21-11-15-3-1-2-4-16(15)12-23-6-8-25-9-7-23/h1-5,10,13-14H,6-9,11-12H2,(H,21,24)/p+1