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

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[2-(4-methoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-23(2)11-12-24(20(25)13-15-5-7-16(26-3)8-6-15)21-22-18-10-9-17(27-4)14-19(18)28-21/h5-10,14H,11-13H2,1-4H3/p+1