2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-4-pyrimidin-5-yl-phenol

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-4-pyrimidin-5-yl-phenol Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-pyrimidin-5-yl-phenol CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-(5-pyrimidinyl)phenol IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-4-pyrimidin-5-ylphenol Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-4-(5-pyrimidyl)phenol Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CN=C4)O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=C(C=CC(=C3)C4=CN=CN=C4)O

InChI

InChI=1S/C24H26N4O/c29-24-9-8-21(23-16-25-19-26-17-23)15-22(24)18-28-13-11-27(12-14-28)10-4-7-20-5-2-1-3-6-20/h1-9,15-17,19,29H,10-14,18H2/p+1/b7-4+