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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]methanone Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)CC4=CC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)CC4=CC=CC=N4

InChI

InChI=1S/C25H32N4O/c30-25(23-11-15-28(16-12-23)21-24-10-4-5-13-26-24)29-19-17-27(18-20-29)14-6-9-22-7-2-1-3-8-22/h1-10,13,23H,11-12,14-21H2/p+1/b9-6+