4-(morpholin-4-ium-4-ylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(4-morpholin-4-iumylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O3S/c29-24(19-8-6-18(7-9-19)17-28-12-14-30-15-13-28)27-25-26-22-11-10-21(16-23(22)32-25)31-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,27,29)/p+1