methyl 5-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14-19(22(27)29-5)15(2)23-20(14)21(26)16(3)24-10-12-25(13-11-24)17-6-8-18(28-4)9-7-17/h6-9,16,23H,10-13H2,1-5H3/p+1/t16-/m0/s1