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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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