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

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N3O3+ MolecularWeight: 384.4919

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-5-28-22(27)19-15(2)20(23-16(19)3)21(26)17(4)24-11-13-25(14-12-24)18-9-7-6-8-10-18/h6-10,17,23H,5,11-14H2,1-4H3/p+1/t17-/m0/s1