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

Systemtic Name: methyl 2,4-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-benzylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3/c1-14-17(20(25)26-3)15(2)21-18(14)19(24)23-11-9-22(10-12-23)13-16-7-5-4-6-8-16/h4-8,21H,9-13H2,1-3H3/p+1