2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone

Systemtic Name: 2-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone Openeye Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone CAS Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone IUPAC Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-(4-ethoxyphenyl)ethanone Traditional Name: 2-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-p-phenetyl-ethanone Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=CC=CC=C32)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=CC=CC=C32)N

InChI

InChI=1S/C17H16N2O2S/c1-2-21-13-9-7-12(8-10-13)15(20)11-19-14-5-3-4-6-16(14)22-17(19)18/h3-10,18H,2,11H2,1H3/p+1