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

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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