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

Systemtic Name: ethyl 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-p-anisylpiperazin-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)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H29N3O4/c1-5-29-22(27)19-15(2)20(23-16(19)3)21(26)25-12-10-24(11-13-25)14-17-6-8-18(28-4)9-7-17/h6-9,23H,5,10-14H2,1-4H3/p+1