2,2-dimethoxyethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2,2-dimethoxyethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2,2-dimethoxyethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2,2-dimethoxyethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2,2-dimethoxyethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2,2-dimethoxyethyl(vanillyl)ammonium Formula: C12H20NO4+ MolecularWeight: 242.2915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC(OC)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC(OC)OC)O

InChI

InChI=1S/C12H19NO4/c1-15-11-6-9(4-5-10(11)14)7-13-8-12(16-2)17-3/h4-6,12-14H,7-8H2,1-3H3/p+1