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

Systemtic Name: [2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl-phenethyl-azanium Openeye Name: [2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl-phenethyl-ammonium CAS Name: [2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]methyl-phenethylammonium IUPAC Name: [2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]methyl-phenethylazanium Traditional Name: [2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]methyl-phenethyl-ammonium Formula: C25H32N3O3S+ MolecularWeight: 454.60488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C)C[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S/c1-20-17-23(19-26-12-11-22-7-4-3-5-8-22)21(2)28(20)24-9-6-10-25(18-24)32(29,30)27-13-15-31-16-14-27/h3-10,17-18,26H,11-16,19H2,1-2H3/p+1