[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl]ammonium CAS Name: [2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl]azanium Traditional Name: benzyl-[[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl]ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3S/c1-19-15-22(18-25-17-21-7-4-3-5-8-21)20(2)27(19)23-9-6-10-24(16-23)31(28,29)26-11-13-30-14-12-26/h3-10,15-16,25H,11-14,17-18H2,1-2H3/p+1