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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(4-benzylpiperazine-1,4-diium-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H29N3O3/c1-4-28-22(27)21-17(3)23-16(2)20(21)19(26)15-25-12-10-24(11-13-25)14-18-8-6-5-7-9-18/h5-9,23H,4,10-15H2,1-3H3/p+2