N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-15-4-2-5-17-18(15)21-20(28-17)23(19(24)16-14-26-12-13-27-16)7-3-6-22-8-10-25-11-9-22/h2,4-5,14H,3,6-13H2,1H3/p+1