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

Systemtic Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)-p-toluoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-5-27-18-11-12-19-20(15-18)28-22(23-19)25(14-6-13-24(3)4)21(26)17-9-7-16(2)8-10-17/h7-12,15H,5-6,13-14H2,1-4H3/p+1