3-morpholin-4-ium-4-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 3-morpholin-4-ium-4-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: 3-(4-morpholin-4-iumyl)propyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: 3-morpholin-4-ium-4-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: 3-morpholin-4-ium-4-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C15H23N3O5+2 MolecularWeight: 325.36022

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C15H21N3O5/c19-18(20)13-9-15-14(22-11-23-15)8-12(13)10-16-2-1-3-17-4-6-21-7-5-17/h8-9,16H,1-7,10-11H2/p+2