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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-mesylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H26N3O5S+ MolecularWeight: 372.45974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O5S/c1-10-13(16(21)24-4)11(2)17-14(10)15(20)12(3)18-6-8-19(9-7-18)25(5,22)23/h12,17H,6-9H2,1-5H3/p+1/t12-/m0/s1