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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-m-anisoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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)C3=CC(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-5-27-17-9-10-18-19(14-17)28-21(22-18)24(12-11-23(2)3)20(25)15-7-6-8-16(13-15)26-4/h6-10,13-14H,5,11-12H2,1-4H3/p+1