2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-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(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)CC3=CC=C(C=C3)OC

InChI

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