1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-ethoxy-2-hydroxy-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-ethoxy-2-hydroxy-benzyl)-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2O3/c1-3-28-21-11-7-10-20(22(21)26)16-25-14-12-19(13-15-25)23(27)24-17(2)18-8-5-4-6-9-18/h4-11,17,19,26H,3,12-16H2,1-2H3,(H,24,27)/p+1/t17-/m1/s1