(3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-3-carboxamide Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C19H30N2O4/c1-5-21(6-2)19(23)15-8-7-9-20(13-15)12-14-10-16(24-3)18(22)17(11-14)25-4/h10-11,15,22H,5-9,12-13H2,1-4H3/p+1/t15-/m0/s1