(3-methoxy-2-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-methoxy-2-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (2-hydroxy-3-methoxy-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (2-hydroxy-3-methoxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (2-hydroxy-3-methoxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (2-hydroxy-3-methoxy-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=C(C(=CC=C1)OC)O

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=C(C(=CC=C1)OC)O

InChI

InChI=1S/C13H21NO2/c1-4-6-10(2)14-9-11-7-5-8-12(16-3)13(11)15/h5,7-8,10,14-15H,4,6,9H2,1-3H3/p+1/t10-/m0/s1