2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O3S/c1-3-24(4-2)13-14-25(22-23-16-9-5-8-12-20(16)29-22)21(26)19-15-27-17-10-6-7-11-18(17)28-19/h5-12,19H,3-4,13-15H2,1-2H3/p+1/t19-/m1/s1