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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3O2S/c1-5-26-17-11-8-12-18-19(17)22-21(27-18)24(14-13-23(3)4)20(25)16-10-7-6-9-15(16)2/h6-12H,5,13-14H2,1-4H3/p+1