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

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

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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=C3)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4/c1-6-30-23(28)20-15(2)21(24-16(20)3)22(27)17(4)25-10-12-26(13-11-25)18-8-7-9-19(14-18)29-5/h7-9,14,17,24H,6,10-13H2,1-5H3/p+1/t17-/m0/s1