2-[(4-ethoxyphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxyphenyl)carbonyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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(C=CC(=C3S2)C)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC(=C3S2)C)OC

InChI

InChI=1S/C22H27N3O3S/c1-6-28-17-10-8-16(9-11-17)21(26)25(14-13-24(3)4)22-23-19-18(27-5)12-7-15(2)20(19)29-22/h7-12H,6,13-14H2,1-5H3/p+1