3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-chloranyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-chloro-1,3-benzothiazol-2-yl)-m-toluoyl-amino]propyl-dimethyl-ammonium Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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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=CC=C3Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C20H22ClN3OS/c1-14-7-4-8-15(13-14)19(25)24(12-6-11-23(2)3)20-22-18-16(21)9-5-10-17(18)26-20/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1