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

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-ethyl-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-ethyl-1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C24H32N2O4/c1-4-26(17-18-8-6-5-7-9-18)24(28)20-10-12-25(13-11-20)16-19-14-21(29-2)23(27)22(15-19)30-3/h5-9,14-15,20,27H,4,10-13,16-17H2,1-3H3/p+1