2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methoxybenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-m-anisoyl-amino]ethyl-diethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29N3O2S/c1-6-25(7-2)11-12-26(22(27)18-9-8-10-19(15-18)28-5)23-24-20-13-16(3)17(4)14-21(20)29-23/h8-10,13-15H,6-7,11-12H2,1-5H3/p+1