1-[3,5-bis(chloranyl)pyridin-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-2-yl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(3,5-dichloro-2-pyridyl)piperazin-1-ium CAS Name: 1-(3,5-dichloro-2-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(3,5-dichloropyridin-2-yl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3,5-dichloro-2-pyridyl)piperazin-1-ium Formula: C18H20Cl2N3+ MolecularWeight: 349.2775

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3/c19-16-13-17(20)18(21-14-16)23-11-9-22(10-12-23)8-4-7-15-5-2-1-3-6-15/h1-7,13-14H,8-12H2/p+1/b7-4+