[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]methanone Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)CCCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H37N3O/c32-28(27-15-19-29(20-16-27)17-7-13-25-9-3-1-4-10-25)31-23-21-30(22-24-31)18-8-14-26-11-5-2-6-12-26/h1-6,8-12,14,27H,7,13,15-24H2/p+1/b14-8+