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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-1-yl]-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazino]-[1-(3-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=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)CC4=CN=CC=C4

InChI

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