diethyl 3-methyl-5-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[2-(allylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazin-4-iumyl]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[4-[2-(allylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H33N4O5+ MolecularWeight: 421.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CC[NH+](CC2)CC(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CC[NH+](CC2)CC(=O)NCC=C

InChI

InChI=1S/C21H32N4O5/c1-5-8-22-17(26)14-25-11-9-24(10-12-25)13-16-18(20(27)29-6-2)15(4)19(23-16)21(28)30-7-3/h5,23H,1,6-14H2,2-4H3,(H,22,26)/p+1