methyl 2,4-dimethyl-5-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H27N3O3S+2 MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3O3S/c1-13-17(19(24)25-3)14(2)20-18(13)16(23)12-22-8-6-21(7-9-22)11-15-5-4-10-26-15/h4-5,10,20H,6-9,11-12H2,1-3H3/p+2