[(3S)-3-(3-methoxy-2-oxidanyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium

Systemtic Name: [(3S)-3-(3-methoxy-2-oxidanyl-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(2-hydroxy-3-methoxy-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(2-hydroxy-3-methoxyphenyl)-3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(2-hydroxy-3-methoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(2-hydroxy-3-methoxy-phenyl)-3-pyrrolidin-1-ium-1-yl-propyl]ammonium Formula: C14H24N2O2+2 MolecularWeight: 252.35256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(CC[NH3+])[NH+]2CCCC2

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H](CC[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C14H22N2O2/c1-18-13-6-4-5-11(14(13)17)12(7-8-15)16-9-2-3-10-16/h4-6,12,17H,2-3,7-10,15H2,1H3/p+2/t12-/m0/s1