N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]benzamide Formula: C21H25N2O+ MolecularWeight: 321.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c24-21(19-11-5-2-6-12-19)22-20-13-16-23(17-14-20)15-7-10-18-8-3-1-4-9-18/h1-12,20H,13-17H2,(H,22,24)/p+1/b10-7+