[4-[(2R)-2-oxidanyl-3-(propan-2-ylazaniumyl)propoxy]naphthalen-1-yl] sulfate

Systemtic Name: [4-[(2R)-2-oxidanyl-3-(propan-2-ylazaniumyl)propoxy]naphthalen-1-yl] sulfate Openeye Name: [4-[(2R)-2-hydroxy-3-(isopropylammonio)propoxy]-1-naphthyl] sulfate CAS Name: [4-[(2R)-2-hydroxy-3-(propan-2-ylammonio)propoxy]-1-naphthalenyl] sulfate IUPAC Name: [4-[(2R)-2-hydroxy-3-(propan-2-ylazaniumyl)propoxy]naphthalen-1-yl] sulfate Traditional Name: [4-[(2R)-2-hydroxy-3-(isopropylammonio)propoxy]-1-naphthyl] sulfate Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC(COC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)[O-])O

Isomeric SMILES

CC(C)[NH2+]C[C@H](COC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)[O-])O

InChI

InChI=1S/C16H21NO6S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23-24(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)/t12-/m1/s1