1-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]cinnolin-4-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-17-6-2-3-7-18(17)15-24-10-12-25(13-11-24)22(28)16-26-20-9-5-4-8-19(20)21(27)14-23-26/h2-9,14H,10-13,15-16H2,1H3/p+1