3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(4-ethoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C(=C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C(=C3)C)C

InChI

InChI=1S/C23H29N3O2S/c1-6-28-19-10-8-18(9-11-19)22(27)26(13-7-12-25(4)5)23-24-20-14-16(2)17(3)15-21(20)29-23/h8-11,14-15H,6-7,12-13H2,1-5H3/p+1