ethyl 5-[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N3O5+ MolecularWeight: 402.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H27N3O5/c1-5-28-21(27)17-13(2)18(22-14(17)3)19(25)15(4)23-8-10-24(11-9-23)20(26)16-7-6-12-29-16/h6-7,12,15,22H,5,8-11H2,1-4H3/p+1/t15-/m0/s1