(3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propan-2-yl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-[(3-methoxy-4-oxidanyl-phenyl)methylamino]propan-2-yl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[(1S)-2-[(4-hydroxy-3-methoxy-phenyl)methylamino]-1-methyl-ethyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[(2S)-1-[(4-hydroxy-3-methoxyphenyl)methylamino]propan-2-yl]azanium Traditional Name: [(1S)-1-methyl-2-(vanillylamino)ethyl]-vanillyl-ammonium Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCC1=CC(=C(C=C1)O)OC)[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[C@@H](CNCC1=CC(=C(C=C1)O)OC)[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C19H26N2O4/c1-13(21-12-15-5-7-17(23)19(9-15)25-3)10-20-11-14-4-6-16(22)18(8-14)24-2/h4-9,13,20-23H,10-12H2,1-3H3/p+1/t13-/m0/s1