1-[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H32N4O5S/c1-17-14-22(23(29)16-26-8-6-19(7-9-26)24(25)30)18(2)28(17)20-4-3-5-21(15-20)34(31,32)27-10-12-33-13-11-27/h3-5,14-15,19H,6-13,16H2,1-2H3,(H2,25,30)/p+1