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

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-phenoxy-benzamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-phenoxy-benzamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]-3-phenoxybenzamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]-3-phenoxy-benzamide Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c25-20(16-5-4-8-19(13-16)27-18-6-2-1-3-7-18)23-21-22-17(15-28-21)14-24-9-11-26-12-10-24/h1-8,13,15H,9-12,14H2,(H,22,23,25)/p+1