[4-(octadecylamino)-4-oxidanylidene-butyl]-(3-sulfopropyl)azanium chloride

Systemtic Name: [4-(octadecylamino)-4-oxidanylidene-butyl]-(3-sulfopropyl)azanium chloride Openeye Name: [4-(octadecylamino)-4-oxo-butyl]-(3-sulfopropyl)ammonium chloride CAS Name: [4-(octadecylamino)-4-oxobutyl]-(3-sulfopropyl)ammonium chloride IUPAC Name: [4-(octadecylamino)-4-oxobutyl]-(3-sulfopropyl)azanium chloride Traditional Name: [4-keto-4-(stearylamino)butyl]-(3-sulfopropyl)ammonium chloride Formula: C25H53ClN2O4S MolecularWeight: 513.21732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)CCC[NH2+]CCCS(=O)(=O)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)CCC[NH2+]CCCS(=O)(=O)O.[Cl-]

InChI

InChI=1S/C25H52N2O4S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-27-25(28)20-18-21-26-22-19-24-32(29,30)31;/h26H,2-24H2,1H3,(H,27,28)(H,29,30,31);1H