methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-ium-1-yl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methylpiperazin-1-ium-1-yl)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)C[NH+]3CCN(CC3)C

InChI

InChI=1S/C21H27N3O3/c1-15-13-19(20(25)14-23-11-9-22(3)10-12-23)16(2)24(15)18-7-5-17(6-8-18)21(26)27-4/h5-8,13H,9-12,14H2,1-4H3/p+1