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

Systemtic Name: methyl 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylethanoyl)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]benzoic acid methyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

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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+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C20H24N2O4/c1-14-12-18(19(23)13-21-8-10-26-11-9-21)15(2)22(14)17-6-4-16(5-7-17)20(24)25-3/h4-7,12H,8-11,13H2,1-3H3/p+1