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

Systemtic Name: 2-[(3,4-dimethylphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(3,4-dimethylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(3,4-dimethylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(3,4-dimethylbenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H30N3OS+ MolecularWeight: 396.5688

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H29N3OS/c1-6-25(7-2)13-14-26(22(27)19-12-11-16(3)18(5)15-19)23-24-21-17(4)9-8-10-20(21)28-23/h8-12,15H,6-7,13-14H2,1-5H3/p+1