2-(2-hydroxyethyloxy)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO4/c1-16-12-8-10(2-3-11(12)15)9-13-4-6-17-7-5-14/h2-3,8,13-15H,4-7,9H2,1H3/p+1