6-chloranyl-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-(phenylmethyl)quinoxalin-2-one

Systemtic Name: 6-chloranyl-3-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-1-(phenylmethyl)quinoxalin-2-one Openeye Name: 1-benzyl-6-chloro-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one CAS Name: 6-chloro-3-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-1-(phenylmethyl)-2-quinoxalinone IUPAC Name: 1-benzyl-6-chloro-3-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one Traditional Name: 1-benzyl-6-chloro-3-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]quinoxalin-2-one Formula: C27H27ClN5O2+ MolecularWeight: 488.98858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC3=NC4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5O2/c28-21-9-11-24-23(18-21)30-22(27(35)33(24)19-20-6-2-1-3-7-20)10-12-26(34)32-16-14-31(15-17-32)25-8-4-5-13-29-25/h1-9,11,13,18H,10,12,14-17,19H2/p+1