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

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(4-ethoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-4-26-16-8-5-14(6-9-16)19(25)24(12-11-23(2)3)20-22-17-10-7-15(21)13-18(17)27-20/h5-10,13H,4,11-12H2,1-3H3/p+1