[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium

Systemtic Name: [2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]-[(2S)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]azanium Openeye Name: 1,1-bis(hydroxymethyl)propyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonium CAS Name: [1-hydroxy-2-(hydroxymethyl)butan-2-yl]-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]ammonium IUPAC Name: [1-hydroxy-2-(hydroxymethyl)butan-2-yl]-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]azanium Traditional Name: 1,1-dimethylolpropyl-[(2S)-2-hydroxy-3-(2-isopropylphenoxy)propyl]ammonium Formula: C17H30NO4+ MolecularWeight: 312.4244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)[NH2+]CC(COC1=CC=CC=C1C(C)C)O

Isomeric SMILES

CCC(CO)(CO)[NH2+]C[C@@H](COC1=CC=CC=C1C(C)C)O

InChI

InChI=1S/C17H29NO4/c1-4-17(11-19,12-20)18-9-14(21)10-22-16-8-6-5-7-15(16)13(2)3/h5-8,13-14,18-21H,4,9-12H2,1-3H3/p+1/t14-/m0/s1