2-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl-methyl-amino]ethyl-cyclopentyl-methyl-azanium

Systemtic Name: 2-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl-methyl-amino]ethyl-cyclopentyl-methyl-azanium Openeye Name: 2-[(2-amino-1,3-benzothiazole-5-carbonyl)-methyl-amino]ethyl-cyclopentyl-methyl-ammonium CAS Name: 2-[[(2-amino-1,3-benzothiazol-5-yl)-oxomethyl]-methylamino]ethyl-cyclopentyl-methylammonium IUPAC Name: 2-[(2-amino-1,3-benzothiazole-5-carbonyl)-methylamino]ethyl-cyclopentyl-methylazanium Traditional Name: 2-[(2-amino-1,3-benzothiazole-5-carbonyl)-methyl-amino]ethyl-cyclopentyl-methyl-ammonium Formula: C17H25N4OS+ MolecularWeight: 333.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN(C)C(=O)C1=CC2=C(C=C1)SC(=N2)N)C3CCCC3

Isomeric SMILES

C[NH+](CCN(C)C(=O)C1=CC2=C(C=C1)SC(=N2)N)C3CCCC3

InChI

InChI=1S/C17H24N4OS/c1-20(13-5-3-4-6-13)9-10-21(2)16(22)12-7-8-15-14(11-12)19-17(18)23-15/h7-8,11,13H,3-6,9-10H2,1-2H3,(H2,18,19)/p+1