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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-p-dioxin-5-carboxamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-15-12-16(2)19-18(13-15)29-21(22-19)24(20(25)17-14-27-10-11-28-17)5-3-4-23-6-8-26-9-7-23/h12-14H,3-11H2,1-2H3/p+1