[(1S)-1-(4-methoxy-2-oxidanyl-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=C(C=C(C=C1)OC)O)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C16H26N2O2/c1-13(15-7-6-14(20-2)12-16(15)19)17-8-5-11-18-9-3-4-10-18/h6-7,12-13,17,19H,3-5,8-11H2,1-2H3/p+2/t13-/m0/s1