4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylethanoyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-(2-morpholin-4-ium-4-ylacetyl)pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)C[NH+]4CCOCC4

InChI

InChI=1S/C23H28N4O3/c1-16-14-20(21(28)15-25-10-12-30-13-11-25)17(2)26(16)22-18(3)24(4)27(23(22)29)19-8-6-5-7-9-19/h5-9,14H,10-13,15H2,1-4H3/p+1