4-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1,3-dihydroquinoxalin-2-one Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CC(=O)NC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c32-25-19-31(24-14-8-7-13-23(24)28-25)26(33)20-29-15-17-30(18-16-29)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2,(H,28,32)/p+1