2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-(4-o-phenetylpiperazin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C23H30N4O3/c1-2-30-22-8-4-3-7-20(22)26-13-11-25(12-14-26)17-21(28)18-15-19(24-16-18)23(29)27-9-5-6-10-27/h3-4,7-8,15-16,24H,2,5-6,9-14,17H2,1H3/p+1