3-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethyl-1,3-benzothiazol-2-yl)-m-anisoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O2S/c1-5-16-10-11-19-20(14-16)28-22(23-19)25(13-7-12-24(2)3)21(26)17-8-6-9-18(15-17)27-4/h6,8-11,14-15H,5,7,12-13H2,1-4H3/p+1