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

Systemtic Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-pyridin-3-yl-quinazoline Openeye Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline CAS Name: 4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-2-(3-pyridinyl)quinazoline IUPAC Name: 4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-2-pyridin-3-ylquinazoline Traditional Name: 4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-(3-pyridyl)quinazoline Formula: C26H26N5+ MolecularWeight: 408.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C26H25N5/c1-2-8-21(9-3-1)10-7-15-30-16-18-31(19-17-30)26-23-12-4-5-13-24(23)28-25(29-26)22-11-6-14-27-20-22/h1-14,20H,15-19H2/p+1/b10-7+