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

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H25N3OS/c1-5-16-10-11-18-19(14-16)26-21(22-18)24(13-12-23(3)4)20(25)17-9-7-6-8-15(17)2/h6-11,14H,5,12-13H2,1-4H3/p+1