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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3,4-dimethylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3,4-dimethylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(3,4-dimethylbenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)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)OC)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

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

InChI

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