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

Systemtic Name: [(3S)-3-(3-methoxy-2-oxidanyl-phenyl)-3-piperidin-1-ium-1-yl-propyl]azanium Openeye Name: [(3S)-3-(2-hydroxy-3-methoxy-phenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium CAS Name: [(3S)-3-(2-hydroxy-3-methoxyphenyl)-3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(3S)-3-(2-hydroxy-3-methoxyphenyl)-3-piperidin-1-ium-1-ylpropyl]azanium Traditional Name: [(3S)-3-(2-hydroxy-3-methoxy-phenyl)-3-piperidin-1-ium-1-yl-propyl]ammonium Formula: C15H26N2O2+2 MolecularWeight: 266.37914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(CC[NH3+])[NH+]2CCCCC2

Isomeric SMILES

COC1=CC=CC(=C1O)[C@H](CC[NH3+])[NH+]2CCCCC2

InChI

InChI=1S/C15H24N2O2/c1-19-14-7-5-6-12(15(14)18)13(8-9-16)17-10-3-2-4-11-17/h5-7,13,18H,2-4,8-11,16H2,1H3/p+2/t13-/m0/s1