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3-[(4-dimethylaminophenyl)carbonylamino]propyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonic acid

3-[(4-dimethylaminophenyl)carbonylamino]propyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonic acid

Systemtic Name:3-[(4-dimethylaminophenyl)carbonylamino]propyl-dodecyl-dimethyl-azanium; 4-methylbenzenesulfonic acid
Openeye Name:3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethyl-ammonium; 4-methylbenzenesulfonic acid
CAS Name:3-[[(4-dimethylaminophenyl)-oxomethyl]amino]propyl-dodecyl-dimethylammonium; 4-methylbenzenesulfonic acid
IUPAC Name:3-[[4-(dimethylamino)benzoyl]amino]propyl-dodecyl-dimethylazanium; 4-methylbenzenesulfonic acid
Traditional Name:3-[[4-(dimethylamino)benzoyl]amino]propyl-lauryl-dimethyl-ammonium; tosylic acid
Formula: C33H56N3O4S+
MolecularWeight: 590.88044
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C26H47N3O.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,6-16,21-23H2,1-5H3;2-5H,1H3,(H,8,9,10)/p+1


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