N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[(E)-3-(2-methoxyphenyl)allyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-27-21-11-3-2-8-19(21)10-6-14-25-13-5-7-18(17-25)15-24-22(26)20-9-4-12-23-16-20/h2-4,6,8-12,16,18H,5,7,13-15,17H2,1H3,(H,24,26)/p+1/b10-6+/t18-/m1/s1