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

Systemtic Name: ethyl 4-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H30N3O4+ MolecularWeight: 412.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-5-30-23(29)22-16(3)24-15(2)21(22)20(28)14-25-10-12-26(13-11-25)19-8-6-18(7-9-19)17(4)27/h6-9,24H,5,10-14H2,1-4H3/p+1