N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(4,6-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=CC(=C2C(=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=COCCO4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-14-11-15(2)18-17(12-14)28-20(21-18)23(4-3-22-5-7-25-8-6-22)19(24)16-13-26-9-10-27-16/h11-13H,3-10H2,1-2H3/p+1