(3-methoxy-4-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: 3-pyrrolidin-1-ium-1-ylpropyl(vanillyl)ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)O

InChI

InChI=1S/C15H24N2O2/c1-19-15-11-13(5-6-14(15)18)12-16-7-4-10-17-8-2-3-9-17/h5-6,11,16,18H,2-4,7-10,12H2,1H3/p+2