N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-methylsulfonyl-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-(2-methyl-2-morpholin-4-ium-4-yl-propyl)amine Formula: C15H24N3O5S+ MolecularWeight: 358.43316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O5S/c1-15(2,17-6-8-23-9-7-17)11-16-13-5-4-12(24(3,21)22)10-14(13)18(19)20/h4-5,10,16H,6-9,11H2,1-3H3/p+1