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

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]ethanone Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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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+]4CCCCCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C(=O)C[NH+]4CCCCCC4

InChI

InChI=1S/C24H33N3O4S/c1-19-16-23(24(28)18-25-10-5-3-4-6-11-25)20(2)27(19)21-8-7-9-22(17-21)32(29,30)26-12-14-31-15-13-26/h7-9,16-17H,3-6,10-15,18H2,1-2H3/p+1