1-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-[(3-chlorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(3-chlorobenzyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Formula: C20H23ClN4O+2 MolecularWeight: 370.87582

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)Cl)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C20H21ClN4O/c21-17-5-3-4-16(12-17)14-23-8-10-24(11-9-23)15-25-19-7-2-1-6-18(19)20(26)13-22-25/h1-7,12-13H,8-11,14-15H2/p+2