N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(4-methoxy-2-methyl-phenyl)-3-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]propanamide Openeye Name: 3-[(3R)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propanamide CAS Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]propanamide Traditional Name: 3-[(3R)-1-[(E)-cinnamyl]piperidin-1-ium-3-yl]-N-(4-methoxy-2-methyl-phenyl)propionamide Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=O)CCC2CCC[NH+](C2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=O)CC[C@H]2CCC[NH+](C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2/c1-20-18-23(29-2)13-14-24(20)26-25(28)15-12-22-11-7-17-27(19-22)16-6-10-21-8-4-3-5-9-21/h3-6,8-10,13-14,18,22H,7,11-12,15-17,19H2,1-2H3,(H,26,28)/p+1/b10-6+/t22-/m1/s1