methyl-[4-[2-methylpropyl(phenyl)amino]-2-oxidanyl-butyl]-(phenylmethyl)azanium chloride

Systemtic Name: methyl-[4-[2-methylpropyl(phenyl)amino]-2-oxidanyl-butyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-hydroxy-4-(N-isobutylanilino)butyl]-methyl-ammonium chloride CAS Name: [2-hydroxy-4-[N-(2-methylpropyl)anilino]butyl]-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-[2-hydroxy-4-[N-(2-methylpropyl)anilino]butyl]-methylazanium chloride Traditional Name: benzyl-[2-hydroxy-4-(N-isobutylanilino)butyl]-methyl-ammonium chloride Formula: C22H33ClN2O MolecularWeight: 376.96322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC(C[NH+](C)CC1=CC=CC=C1)O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)CN(CCC(C[NH+](C)CC1=CC=CC=C1)O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C22H32N2O.ClH/c1-19(2)16-24(21-12-8-5-9-13-21)15-14-22(25)18-23(3)17-20-10-6-4-7-11-20;/h4-13,19,22,25H,14-18H2,1-3H3;1H