N-(2-hydroxyethyl)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyethyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-(2-hydroxyethyl)-1-(2-hydroxy-3-methoxy-benzyl)piperidin-1-ium-4-carboxamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-29-21-9-5-8-20(22(21)27)17-24-12-10-19(11-13-24)23(28)25(14-15-26)16-18-6-3-2-4-7-18/h2-9,19,26-27H,10-17H2,1H3/p+1