ethyl 5-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-ethylpiperazin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-ethyl-1-piperazin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-ethylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H28N3O3+ MolecularWeight: 322.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C17H27N3O3/c1-5-19-7-9-20(10-8-19)11-14(21)16-12(3)15(13(4)18-16)17(22)23-6-2/h18H,5-11H2,1-4H3/p+1