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

Systemtic Name: 1-ethyl-3-methyl-6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonyl-quinoxalin-2-one Openeye Name: 1-ethyl-3-methyl-6-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]quinoxalin-2-one CAS Name: 1-ethyl-3-methyl-6-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-quinoxalinone IUPAC Name: 1-ethyl-3-methyl-6-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]quinoxalin-2-one Traditional Name: 1-ethyl-3-methyl-6-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]quinoxalin-2-one Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N=C(C1=O)C

InChI

InChI=1S/C27H28N4O2/c1-3-31-25-12-11-21(17-24(25)28-19(2)26(31)32)27(33)30-15-13-29(14-16-30)18-22-9-6-8-20-7-4-5-10-23(20)22/h4-12,17H,3,13-16,18H2,1-2H3/p+1