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

Systemtic Name: [4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butyl]ammonium CAS Name: [4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]ammonium IUPAC Name: [4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]butyl]ammonium Formula: C12H16N3O2S+ MolecularWeight: 266.33934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC[NH3+]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC[NH3+]

InChI

InChI=1S/C12H15N3O2S/c1-17-8-4-5-9-10(7-8)18-12(14-9)15-11(16)3-2-6-13/h4-5,7H,2-3,6,13H2,1H3,(H,14,15,16)/p+1