[4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butyl]ammonium CAS Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]ammonium IUPAC Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]azanium Traditional Name: [4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyl]ammonium Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC[NH3+]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C13H17N3O2S/c1-2-18-9-5-6-10-11(8-9)19-13(15-10)16-12(17)4-3-7-14/h5-6,8H,2-4,7,14H2,1H3,(H,15,16,17)/p+1