6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one

Systemtic Name: 6-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonyl-1-ethyl-3-methyl-quinoxalin-2-one Openeye Name: 6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-ethyl-3-methyl-quinoxalin-2-one CAS Name: 6-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-ethyl-3-methyl-2-quinoxalinone IUPAC Name: 6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-ethyl-3-methylquinoxalin-2-one Traditional Name: 6-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-1-ethyl-3-methyl-quinoxalin-2-one Formula: C29H31N4O2+ MolecularWeight: 467.58204

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N=C(C1=O)C

InChI

InChI=1S/C29H30N4O2/c1-3-33-26-15-14-24(20-25(26)30-21(2)28(33)34)29(35)32-18-16-31(17-19-32)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-15,20,27H,3,16-19H2,1-2H3/p+1