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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

InChI

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