(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C16H26N2O3/c1-20-14-10-13(11-15(21-2)16(14)19)12-17-6-5-9-18-7-3-4-8-18/h10-11,17,19H,3-9,12H2,1-2H3/p+2