N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,4-dinitro-aniline

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,4-dinitro-aniline Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,4-dinitro-aniline CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]amine Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O5/c22-20(23)14-4-5-15(16(12-14)21(24)25)18-13-17(6-2-1-3-7-17)19-8-10-26-11-9-19/h4-5,12,18H,1-3,6-11,13H2/p+1