[(2S)-3,3-dimethoxy-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]propyl]azanium

Systemtic Name: [(2S)-3,3-dimethoxy-2-[(3-methoxy-4-oxidanyl-phenyl)methyl]propyl]azanium Openeye Name: [(2S)-2-[(4-hydroxy-3-methoxy-phenyl)methyl]-3,3-dimethoxy-propyl]ammonium CAS Name: [(2S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,3-dimethoxypropyl]ammonium IUPAC Name: [(2S)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3,3-dimethoxypropyl]azanium Traditional Name: [(2S)-3,3-dimethoxy-2-vanillyl-propyl]ammonium Formula: C13H22NO4+ MolecularWeight: 256.31808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(C[NH3+])C(OC)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[C@@H](C[NH3+])C(OC)OC)O

InChI

InChI=1S/C13H21NO4/c1-16-12-7-9(4-5-11(12)15)6-10(8-14)13(17-2)18-3/h4-5,7,10,13,15H,6,8,14H2,1-3H3/p+1/t10-/m0/s1