[4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [4-[[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [4-[[3-(1,3-benzothiazol-2-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)CNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3OS/c1-23(2)14-16-9-7-15(8-10-16)13-21-19(24)11-12-20-22-17-5-3-4-6-18(17)25-20/h3-10H,11-14H2,1-2H3,(H,21,24)/p+1