N-ethyl-N-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-N-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-N-(phenylmethyl)-1-[(2,3,4-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-ethyl-1-(2,3,4-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O4+ MolecularWeight: 427.5564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-5-27(17-19-9-7-6-8-10-19)25(28)20-13-15-26(16-14-20)18-21-11-12-22(29-2)24(31-4)23(21)30-3/h6-12,20H,5,13-18H2,1-4H3/p+1