[(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]azanium

Systemtic Name: [(3S)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]azanium Openeye Name: [(3S)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-3-yl]ammonium CAS Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]ammonium IUPAC Name: [(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]azanium Traditional Name: [(3S)-1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-3-yl]ammonium Formula: C14H24N2O2+2 MolecularWeight: 252.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCCC(C2)[NH3+])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC[C@@H](C2)[NH3+])O

InChI

InChI=1S/C14H22N2O2/c1-2-18-14-8-11(5-6-13(14)17)9-16-7-3-4-12(15)10-16/h5-6,8,12,17H,2-4,7,9-10,15H2,1H3/p+2/t12-/m0/s1