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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(3,4-dihydroxyphenyl)methyl]-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]-N-ethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(3,4-dihydroxyphenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-ethyl-1-protocatechuyl-piperidin-1-ium-4-carboxamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-2-24(16-17-6-4-3-5-7-17)22(27)19-10-12-23(13-11-19)15-18-8-9-20(25)21(26)14-18/h3-9,14,19,25-26H,2,10-13,15-16H2,1H3/p+1