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

Systemtic Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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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+]4CCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H31N3O4S/c1-18-15-22(23(27)17-24-9-4-3-5-10-24)19(2)26(18)20-7-6-8-21(16-20)31(28,29)25-11-13-30-14-12-25/h6-8,15-16H,3-5,9-14,17H2,1-2H3/p+1