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

Systemtic Name: ethyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-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(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)C)C

Isomeric SMILES

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

InChI

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