N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-m-anisyl-3-[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]propionamide Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CCC2CCC[NH+](C2)CC#CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC#CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O2/c1-29-24-13-5-10-23(18-24)19-26-25(28)15-14-22-12-7-17-27(20-22)16-6-11-21-8-3-2-4-9-21/h2-5,8-10,13,18,22H,7,12,14-17,19-20H2,1H3,(H,26,28)/p+1/t22-/m1/s1