1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one

Systemtic Name: 1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one Openeye Name: 1-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]quinoxalin-2-one CAS Name: 1-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-quinoxalinone IUPAC Name: 1-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinoxalin-2-one Traditional Name: 1-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]quinoxalin-2-one Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

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