[1-[[2-methyl-3-(3-sulfobutyl)dodecan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium hydroxide

Systemtic Name: [1-[[2-methyl-3-(3-sulfobutyl)dodecan-2-yl]amino]-1-oxidanylidene-butan-2-yl]azanium hydroxide Openeye Name: 1-[[1,1-dimethyl-2-(3-sulfobutyl)undecyl]carbamoyl]propylammonium hydroxide CAS Name: [1-[[2-methyl-3-(3-sulfobutyl)dodecan-2-yl]amino]-1-oxobutan-2-yl]ammonium hydroxide IUPAC Name: [1-[[2-methyl-3-(3-sulfobutyl)dodecan-2-yl]amino]-1-oxobutan-2-yl]azanium hydroxide Traditional Name: 1-[[1,1-dimethyl-2-(3-sulfobutyl)undecyl]carbamoyl]propylammonium hydroxide Formula: C21H46N2O5S MolecularWeight: 438.66534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC(C)S(=O)(=O)O)C(C)(C)NC(=O)C(CC)[NH3+].[OH-]

Isomeric SMILES

CCCCCCCCCC(CCC(C)S(=O)(=O)O)C(C)(C)NC(=O)C(CC)[NH3+].[OH-]

InChI

InChI=1S/C21H44N2O4S.H2O/c1-6-8-9-10-11-12-13-14-18(16-15-17(3)28(25,26)27)21(4,5)23-20(24)19(22)7-2;/h17-19H,6-16,22H2,1-5H3,(H,23,24)(H,25,26,27);1H2