(2S)-N-(3,4-dimethoxyphenyl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-benzyloxypiperidin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propanamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(4-phenylmethoxy-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)-2-(4-phenylmethoxypiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-2-(4-benzoxypiperidin-1-ium-1-yl)-N-(3,4-dimethoxyphenyl)propionamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4/c1-17(23(26)24-19-9-10-21(27-2)22(15-19)28-3)25-13-11-20(12-14-25)29-16-18-7-5-4-6-8-18/h4-10,15,17,20H,11-14,16H2,1-3H3,(H,24,26)/p+1/t17-/m0/s1