3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium

Systemtic Name: 3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium Openeye Name: 3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium CAS Name: 3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium IUPAC Name: 3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium Traditional Name: 3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium Formula: C12H17N2O2S+ MolecularWeight: 253.34058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(S2)CCC[NH3+])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(S2)CCC[NH3+])OC

InChI

InChI=1S/C12H16N2O2S/c1-15-9-6-8-11(7-10(9)16-2)17-12(14-8)4-3-5-13/h6-7H,3-5,13H2,1-2H3/p+1