1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Formula: C19H20ClN4O+ MolecularWeight: 355.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H19ClN4O/c20-15-4-3-5-16(12-15)23-10-8-22(9-11-23)14-24-18-7-2-1-6-17(18)19(25)13-21-24/h1-7,12-13H,8-11,14H2/p+1