N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitro-aniline Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-morpholinosulfonyl-4-nitro-aniline CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-(4-morpholinylsulfonyl)-4-nitroaniline IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-morpholin-4-ylsulfonyl-4-nitroaniline Traditional Name: (1-morpholin-4-ium-4-ylcyclohexyl)methyl-(2-morpholinosulfonyl-4-nitro-phenyl)amine Formula: C21H33N4O6S+ MolecularWeight: 469.57492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3)[NH+]4CCOCC4

InChI

InChI=1S/C21H32N4O6S/c26-25(27)18-4-5-19(20(16-18)32(28,29)24-10-14-31-15-11-24)22-17-21(6-2-1-3-7-21)23-8-12-30-13-9-23/h4-5,16,22H,1-3,6-15,17H2/p+1