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

Systemtic Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O5/c1-15-19(22(27)29-4)16(2)23-20(15)21(26)25-11-9-24(10-12-25)13-14-30-18-7-5-17(28-3)6-8-18/h5-8,23H,9-14H2,1-4H3/p+1