4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-3-nitro-benzenesulfonamide Formula: C19H26N5O5S+ MolecularWeight: 436.50524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5S/c1-14(2)22-30(27,28)16-4-5-17(18(11-16)24(25)26)20-12-15-3-6-19(21-13-15)23-7-9-29-10-8-23/h3-6,11,13-14,20,22H,7-10,12H2,1-2H3/p+1