(3R)-1-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(5-acetyl-2-ethoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-acetyl-2-ethoxyphenyl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(5-acetyl-2-ethoxyphenyl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(5-acetyl-2-ethoxy-benzyl)-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCC[C@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-3-28-22-12-11-18(17(2)26)14-20(22)16-25-13-7-8-19(15-25)23(27)24-21-9-5-4-6-10-21/h4-6,9-12,14,19H,3,7-8,13,15-16H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1