dimethyl-[3-[(4-octylphenyl)carbonylamino]propyl]-(3-sulfopropyl)azanium

Systemtic Name: dimethyl-[3-[(4-octylphenyl)carbonylamino]propyl]-(3-sulfopropyl)azanium Openeye Name: dimethyl-[3-[(4-octylbenzoyl)amino]propyl]-(3-sulfopropyl)ammonium CAS Name: dimethyl-[3-[[(4-octylphenyl)-oxomethyl]amino]propyl]-(3-sulfopropyl)ammonium IUPAC Name: dimethyl-[3-[(4-octylbenzoyl)amino]propyl]-(3-sulfopropyl)azanium Traditional Name: dimethyl-[3-[(4-octylbenzoyl)amino]propyl]-(3-sulfopropyl)ammonium Formula: C23H41N2O4S+ MolecularWeight: 441.64764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)O

InChI

InChI=1S/C23H40N2O4S/c1-4-5-6-7-8-9-12-21-13-15-22(16-14-21)23(26)24-17-10-18-25(2,3)19-11-20-30(27,28)29/h13-16H,4-12,17-20H2,1-3H3,(H-,24,26,27,28,29)/p+1