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

Systemtic Name: methyl 5-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C20H25N3O4/c1-13-18(20(26)27-3)14(2)21-19(13)17(25)12-22-8-10-23(11-9-22)15-6-4-5-7-16(15)24/h4-7,21,24H,8-12H2,1-3H3/p+1