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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(3-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(3-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(3-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(m-toluoyl)amino]propyl-dimethyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3OS/c1-15-8-6-9-16(14-15)19(24)23(13-7-12-22(2)3)20-21-17-10-4-5-11-18(17)25-20/h4-6,8-11,14H,7,12-13H2,1-3H3/p+1