1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O3S/c1-2-23(13-20-22-15-5-3-4-6-18(15)27-20)12-19(24)21-14-7-8-16-17(11-14)26-10-9-25-16/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,24)/p+1