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

Systemtic Name: N,N-diethyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[[2-methyl-2-(4-morpholin-4-iumyl)propyl]amino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(2-methyl-2-morpholin-4-ium-4-yl-propyl)amino]-3-nitro-benzenesulfonamide Formula: C18H31N4O5S+ MolecularWeight: 415.52754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O5S/c1-5-21(6-2)28(25,26)15-7-8-16(17(13-15)22(23)24)19-14-18(3,4)20-9-11-27-12-10-20/h7-8,13,19H,5-6,9-12,14H2,1-4H3/p+1