2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide

Systemtic Name: 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Openeye Name: 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide CAS Name: 2,4,6-trimethyl-N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzenesulfonamide IUPAC Name: 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Traditional Name: 2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzenesulfonamide Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC[NH+]2CCOCC2)CC3=CC=CN3C)C

InChI

InChI=1S/C22H33N3O3S/c1-18-15-19(2)22(20(3)16-18)29(26,27)25(17-21-7-5-8-23(21)4)10-6-9-24-11-13-28-14-12-24/h5,7-8,15-16H,6,9-14,17H2,1-4H3/p+1