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

Systemtic Name: ethyl 5-[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2R)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H34N3O4+ MolecularWeight: 428.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C24H33N3O4/c1-6-30-20-11-9-8-10-19(20)27-14-12-26(13-15-27)18(5)23(28)22-16(3)21(17(4)25-22)24(29)31-7-2/h8-11,18,25H,6-7,12-15H2,1-5H3/p+1/t18-/m1/s1