3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzoyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[benzoyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzoyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[benzoyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-4-26-17-11-12-18-19(15-17)27-21(22-18)24(14-8-13-23(2)3)20(25)16-9-6-5-7-10-16/h5-7,9-12,15H,4,8,13-14H2,1-3H3/p+1