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

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: 3-piperidin-1-ium-1-ylpropyl(vanillyl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCCC2)O

InChI

InChI=1S/C16H26N2O2/c1-20-16-12-14(6-7-15(16)19)13-17-8-5-11-18-9-3-2-4-10-18/h6-7,12,17,19H,2-5,8-11,13H2,1H3/p+2