N-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-methyl-4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N-methyl-4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-methyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Formula: C15H25N4O5S+ MolecularWeight: 373.4478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)NC)[N+](=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C15H24N4O5S/c1-15(2,18-6-8-24-9-7-18)11-17-13-5-4-12(25(22,23)16-3)10-14(13)19(20)21/h4-5,10,16-17H,6-9,11H2,1-3H3/p+1