3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-m-toluoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-15-8-6-9-18(12-15)21(26)25(11-7-10-24(4)5)22-23-19-13-16(2)17(3)14-20(19)27-22/h6,8-9,12-14H,7,10-11H2,1-5H3/p+1