1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-hydroxy-3,5-dimethoxy-benzyl)-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C23H30N2O4/c1-16(18-7-5-4-6-8-18)24-23(27)19-9-11-25(12-10-19)15-17-13-20(28-2)22(26)21(14-17)29-3/h4-8,13-14,16,19,26H,9-12,15H2,1-3H3,(H,24,27)/p+1/t16-/m1/s1