2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxidanylidene-ethyl]-dimethyl-azanium Openeye Name: 2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: 2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyano-1-pyrrolidinyl)-2-oxoethyl]-dimethylammonium IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyanopyrrolidin-1-yl)-2-oxoethyl]-dimethylazanium Traditional Name: 2-(1,3-benzothiazol-2-ylamino)ethyl-[2-(2-cyanopyrrolidino)-2-keto-ethyl]-dimethyl-ammonium Formula: C18H24N5OS+ MolecularWeight: 358.48106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC1=NC2=CC=CC=C2S1)CC(=O)N3CCCC3C#N

Isomeric SMILES

C[N+](C)(CCNC1=NC2=CC=CC=C2S1)CC(=O)N3CCCC3C#N

InChI

InChI=1S/C18H24N5OS/c1-23(2,13-17(24)22-10-5-6-14(22)12-19)11-9-20-18-21-15-7-3-4-8-16(15)25-18/h3-4,7-8,14H,5-6,9-11,13H2,1-2H3,(H,20,21)/q+1