N-cyclopropyl-3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3R)-1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-3-yl]-N-cyclopropyl-propanamide CAS Name: N-cyclopropyl-3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[(3R)-1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: 3-[(3R)-1-(4-benzoxybenzyl)piperidin-1-ium-3-yl]-N-cyclopropyl-propionamide Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CCC(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CCC(=O)NC4CC4

InChI

InChI=1S/C25H32N2O2/c28-25(26-23-11-12-23)15-10-20-7-4-16-27(17-20)18-21-8-13-24(14-9-21)29-19-22-5-2-1-3-6-22/h1-3,5-6,8-9,13-14,20,23H,4,7,10-12,15-19H2,(H,26,28)/p+1/t20-/m1/s1