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

Systemtic Name: (3S)-N,N-diethyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-3-carboxamide Formula: C20H33N2O4+ MolecularWeight: 365.48702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4/c1-6-22(7-2)20(23)16-9-8-10-21(14-16)13-15-11-17(24-3)19(26-5)18(12-15)25-4/h11-12,16H,6-10,13-14H2,1-5H3/p+1/t16-/m0/s1