1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C24H30N3O+ MolecularWeight: 376.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O/c28-24(27-14-12-22-10-4-5-11-23(22)19-27)20-26-17-15-25(16-18-26)13-6-9-21-7-2-1-3-8-21/h1-11H,12-20H2/p+1/b9-6+