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

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (3-ethoxy-4-hydroxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (3-ethoxy-4-hydroxy-benzyl)-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCCC2)O

InChI

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