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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H25N5O3/c1-4-27-18(26)16-13(2)17(22-14(16)3)15(25)12-23-8-10-24(11-9-23)19-20-6-5-7-21-19/h5-7,22H,4,8-12H2,1-3H3/p+1