3-[(4-dimethylaminophenyl)carbonylamino]propyl-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonylamino]propyl-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: 3-[[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]amino]propyl-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: 3-[[4-(dimethylamino)benzoyl]amino]propyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: 3-[[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium tosylate Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[NH+](C)CCCNC(=O)C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C14H23N3O.C7H8O3S/c1-16(2)11-5-10-15-14(18)12-6-8-13(9-7-12)17(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h6-9H,5,10-11H2,1-4H3,(H,15,18);2-5H,1H3,(H,8,9,10)