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

Systemtic Name: 2-[(3-methoxyphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3-methoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3-methoxyphenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3-methoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[m-anisoyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H23N3O2S/c1-14-7-5-10-17-18(14)21-20(26-17)23(12-11-22(2)3)19(24)15-8-6-9-16(13-15)25-4/h5-10,13H,11-12H2,1-4H3/p+1