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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3C)C

InChI

InChI=1S/C23H31N3O3/c1-6-29-23(28)20-16(3)21(24-17(20)4)22(27)18(5)25-11-13-26(14-12-25)19-10-8-7-9-15(19)2/h7-10,18,24H,6,11-14H2,1-5H3/p+1/t18-/m0/s1