7-chloranyl-2-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[(4-cinnamylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(3-phenylprop-2-enyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[(4-cinnamylpiperazine-1,4-diium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H25ClN4O+2 MolecularWeight: 396.9131

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

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