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

Systemtic Name: (3R)-1-[(5-ethanoyl-2-methoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(5-acetyl-2-methoxy-phenyl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(5-acetyl-2-methoxyphenyl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(5-acetyl-2-methoxyphenyl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-(5-acetyl-2-methoxy-benzyl)-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-16(25)17-10-11-21(27-2)19(13-17)15-24-12-6-7-18(14-24)22(26)23-20-8-4-3-5-9-20/h3-5,8-11,13,18H,6-7,12,14-15H2,1-2H3,(H,23,26)/p+1/t18-/m1/s1