methyl 2,4-dimethyl-5-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-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)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

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