2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-17-6-5-13-23(14-17)15-21(24)22-19-9-11-20(12-10-19)25-16-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)/p+1/t17-/m0/s1