(3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N,N-diethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N,N-diethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N,N-diethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(3-ethoxy-4-methoxy-benzyl)-N,N-diethyl-piperidin-1-ium-3-carboxamide Formula: C20H33N2O3+ MolecularWeight: 349.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O3/c1-5-22(6-2)20(23)17-9-8-12-21(15-17)14-16-10-11-18(24-4)19(13-16)25-7-3/h10-11,13,17H,5-9,12,14-15H2,1-4H3/p+1/t17-/m0/s1