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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-14-18(21(26)27-4)15(2)22-19(14)20(25)16(3)23-10-12-24(13-11-23)17-8-6-5-7-9-17/h5-9,16,22H,10-13H2,1-4H3/p+1/t16-/m0/s1