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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O4/c1-16-20(23(28)29-4)17(2)24-21(16)22(27)18(3)26-12-10-25(11-13-26)14-15-30-19-8-6-5-7-9-19/h5-9,18,24H,10-15H2,1-4H3/p+1/t18-/m0/s1