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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H27N3O3+2 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-10-13(16(21)22-5)11(2)17-14(10)15(20)12(3)19-8-6-18(4)7-9-19/h12,17H,6-9H2,1-5H3/p+2/t12-/m0/s1