[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C18H18N3O3S+ MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O3S/c1-21(10-18-20-13-4-2-3-5-16(13)25-18)9-17(22)19-12-6-7-14-15(8-12)24-11-23-14/h2-8H,9-11H2,1H3,(H,19,22)/p+1