(3,4-dimethoxyphenyl)methyl-[(2S)-2-oxidanylpropyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-oxidanylpropyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(4-pyridylmethyl)ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-2-hydroxypropyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(2S)-2-hydroxypropyl]-(4-pyridylmethyl)-veratryl-ammonium Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC=NC=C1)CC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

C[C@@H](C[NH+](CC1=CC=NC=C1)CC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C18H24N2O3/c1-14(21)11-20(12-15-6-8-19-9-7-15)13-16-4-5-17(22-2)18(10-16)23-3/h4-10,14,21H,11-13H2,1-3H3/p+1/t14-/m0/s1