4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-thienyl)oxazol-5-amine CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-thiophen-2-yl-5-oxazolamine IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-thiophen-2-yl-1,3-oxazol-5-amine Traditional Name: [4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(2-thienyl)oxazol-5-yl]-(2-morpholin-4-ium-4-ylethyl)amine Formula: C21H24N3O6S2+ MolecularWeight: 478.56176

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(N=C(O2)C3=CC=CS3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N3O6S2/c25-32(26,15-3-4-16-17(14-15)29-12-11-28-16)21-20(22-5-6-24-7-9-27-10-8-24)30-19(23-21)18-2-1-13-31-18/h1-4,13-14,22H,5-12H2/p+1