[2-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [2-[(6-azanyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-[(6-amino-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H16N5OS+ MolecularWeight: 290.36404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC#N)CC(=O)NC1=NC2=C(S1)C=C(C=C2)N

Isomeric SMILES

C[NH+](CCC#N)CC(=O)NC1=NC2=C(S1)C=C(C=C2)N

InChI

InChI=1S/C13H15N5OS/c1-18(6-2-5-14)8-12(19)17-13-16-10-4-3-9(15)7-11(10)20-13/h3-4,7H,2,6,8,15H2,1H3,(H,16,17,19)/p+1