2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(3,4-dimethylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C(=C3)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C(=C3)C)C)C

InChI

InChI=1S/C22H27N3OS/c1-14-7-8-18(11-15(14)2)21(26)25(10-9-24(5)6)22-23-19-12-16(3)17(4)13-20(19)27-22/h7-8,11-13H,9-10H2,1-6H3/p+1