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

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

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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=CC=C3Cl

Isomeric SMILES

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

InChI

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