1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H24N4O/c1-17-6-2-3-7-18(17)15-23-10-12-24(13-11-23)16-25-20-9-5-4-8-19(20)21(26)14-22-25/h2-9,14H,10-13,15-16H2,1H3/p+2