(3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: [(1S)-1-methylbutyl]-vanillyl-ammonium Formula: C13H22NO2+ MolecularWeight: 224.31928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2/c1-4-5-10(2)14-9-11-6-7-12(15)13(8-11)16-3/h6-8,10,14-15H,4-5,9H2,1-3H3/p+1/t10-/m0/s1