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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(2-phenoxyethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H31N3O4+2 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-16-20(22(27)28-3)17(2)23-21(16)19(26)15-25-11-9-24(10-12-25)13-14-29-18-7-5-4-6-8-18/h4-8,23H,9-15H2,1-3H3/p+2