2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-(4-methoxyphenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC(=O)N5CCCC5

InChI

InChI=1S/C27H30N4O3/c1-34-21-10-8-20(9-11-21)25-18-23(22-6-2-3-7-24(22)28-25)27(33)31-16-14-29(15-17-31)19-26(32)30-12-4-5-13-30/h2-3,6-11,18H,4-5,12-17,19H2,1H3/p+1