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

Systemtic Name: 1-[[3,4-bis(oxidanyl)phenyl]methyl]-N-butyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(3,4-dihydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(3,4-dihydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(3,4-dihydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-protocatechuyl-piperidin-1-ium-4-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-2-3-13-26(18-19-7-5-4-6-8-19)24(29)21-11-14-25(15-12-21)17-20-9-10-22(27)23(28)16-20/h4-10,16,21,27-28H,2-3,11-15,17-18H2,1H3/p+1