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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-nitro-benzenesulfonamide Openeye Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-nitro-benzenesulfonamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-nitrobenzenesulfonamide Traditional Name: N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-4-nitro-benzenesulfonamide Formula: C19H27N4O5S+ MolecularWeight: 423.50648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC=C1CN(CCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O5S/c1-20-9-2-4-18(20)16-22(11-3-10-21-12-14-28-15-13-21)29(26,27)19-7-5-17(6-8-19)23(24)25/h2,4-9H,3,10-16H2,1H3/p+1