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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=COCCO4

InChI

InChI=1S/C21H27N3O4S/c1-2-16-4-5-17-19(14-16)29-21(22-17)24(20(25)18-15-27-12-13-28-18)7-3-6-23-8-10-26-11-9-23/h4-5,14-15H,2-3,6-13H2,1H3/p+1