1,3-benzothiazol-2-ylmethyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C20H20N3O4S+ MolecularWeight: 398.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+](C)CC3=NC4=CC=CC=C4S3)OCO2

InChI

InChI=1S/C20H19N3O4S/c1-12(24)13-7-16-17(27-11-26-16)8-15(13)21-19(25)9-23(2)10-20-22-14-5-3-4-6-18(14)28-20/h3-8H,9-11H2,1-2H3,(H,21,25)/p+1