2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-[(4-ethoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)-(4-ethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-6-27-18-9-7-17(8-10-18)21(26)25(12-11-24(4)5)22-23-19-14-15(2)13-16(3)20(19)28-22/h7-10,13-14H,6,11-12H2,1-5H3/p+1