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

Systemtic Name: propan-2-yl 5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C24H34N3O5+ MolecularWeight: 444.54386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O5/c1-16(2)32-24(29)21-17(3)22(25-18(21)4)23(28)27-12-10-26(11-13-27)14-15-31-20-8-6-19(30-5)7-9-20/h6-9,16,25H,10-15H2,1-5H3/p+1