N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=COCCO4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=COCCO4

InChI

InChI=1S/C20H25N3O4S/c1-14-3-4-15(2)18-17(14)21-20(28-18)23(6-5-22-7-9-25-10-8-22)19(24)16-13-26-11-12-27-16/h3-4,13H,5-12H2,1-2H3/p+1