6-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-one Openeye Name: 6-chloro-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-one CAS Name: 6-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-one Traditional Name: 6-chloro-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]quinazolin-4-one Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CN3C=NC4=C(C3=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O/c23-19-8-9-21-20(15-19)22(28)27(16-24-21)17-26-13-11-25(12-14-26)10-4-7-18-5-2-1-3-6-18/h1-9,15-16H,10-14,17H2/p+1/b7-4+