N-(4-phenylmethoxyphenyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(4-benzyloxyphenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(4-phenylmethoxyphenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(4-phenylmethoxyphenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(4-benzoxyphenyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-21(13-16-23-14-5-2-6-15-23)22-19-9-11-20(12-10-19)25-17-18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-17H2,(H,22,24)/p+1