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

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-m-anisoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-5-28-18-10-11-19-20(15-18)29-22(23-19)25(13-7-12-24(2)3)21(26)16-8-6-9-17(14-16)27-4/h6,8-11,14-15H,5,7,12-13H2,1-4H3/p+1