3-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-1H-quinoxalin-2-one Openeye Name: 3-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-1H-quinoxalin-2-one CAS Name: 3-[3-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-1H-quinoxalin-2-one IUPAC Name: 3-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one Traditional Name: 3-[3-keto-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propyl]-1H-quinoxalin-2-one Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C26H26N4O2/c31-25(13-12-24-26(32)28-23-11-4-3-10-22(23)27-24)30-16-14-29(15-17-30)18-20-8-5-7-19-6-1-2-9-21(19)20/h1-11H,12-18H2,(H,28,32)/p+1