ethyl 2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O4/c1-4-28-22(27)19-16(2)20(23-17(19)3)21(26)25-12-10-24(11-13-25)14-15-29-18-8-6-5-7-9-18/h5-9,23H,4,10-15H2,1-3H3/p+1