N-(3-morpholin-4-ium-4-ylpropyl)-2,4-dinitro-aniline

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,4-dinitro-aniline Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,4-dinitro-aniline CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2,4-dinitroaniline IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(3-morpholin-4-ium-4-ylpropyl)amine Formula: C13H19N4O5+ MolecularWeight: 311.31376

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O5/c18-16(19)11-2-3-12(13(10-11)17(20)21)14-4-1-5-15-6-8-22-9-7-15/h2-3,10,14H,1,4-9H2/p+1