2-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[5-azanyl-4-(1,3-benzothiazol-2-yl)-3-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-2-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C15H19N4OS+ MolecularWeight: 303.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCN1CC(=O)C(=C1N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H18N4OS/c1-18(2)7-8-19-9-11(20)13(14(19)16)15-17-10-5-3-4-6-12(10)21-15/h3-6H,7-9,16H2,1-2H3/p+1