(3-ethoxy-2-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: (3-ethoxy-2-oxidanyl-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: (3-ethoxy-2-hydroxy-phenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: (3-ethoxy-2-hydroxyphenyl)methyl-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: (3-ethoxy-2-hydroxyphenyl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: (3-ethoxy-2-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=CC=CC(=C1O)C[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C16H26N2O2/c1-2-20-15-8-5-7-14(16(15)19)13-17-9-6-12-18-10-3-4-11-18/h5,7-8,17,19H,2-4,6,9-13H2,1H3/p+2