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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-15-19(21(26)27-3)16(2)22-20(15)18(25)14-24-11-9-23(10-12-24)13-17-7-5-4-6-8-17/h4-8,22H,9-14H2,1-3H3/p+1