1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 3-[1-[(E)-cinnamyl]piperidin-1-ium-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one Formula: C26H33N2O+ MolecularWeight: 389.55302

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)CC=CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)N2CCC3=CC=CC=C3C2)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O/c29-26(28-20-16-24-10-4-5-11-25(24)21-28)13-12-23-14-18-27(19-15-23)17-6-9-22-7-2-1-3-8-22/h1-11,23H,12-21H2/p+1/b9-6+