3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-p-toluoyl-amino]propyl-dimethyl-ammonium Formula: C20H23BrN3OS+ MolecularWeight: 433.38512

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3OS/c1-14-5-7-15(8-6-14)19(25)24(12-4-11-23(2)3)20-22-17-10-9-16(21)13-18(17)26-20/h5-10,13H,4,11-12H2,1-3H3/p+1