N-(3-morpholin-4-ylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline

Systemtic Name: N-(3-morpholin-4-ylpropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline Openeye Name: N-(3-morpholinopropyl)-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: N-[3-(4-morpholinyl)propyl]-2-nitro-5-(1-piperazin-4-iumyl)aniline IUPAC Name: N-(3-morpholin-4-ylpropyl)-2-nitro-5-piperazin-4-ium-1-ylaniline Traditional Name: 3-morpholinopropyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C17H28N5O3+ MolecularWeight: 350.43592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C17H27N5O3/c23-22(24)17-3-2-15(21-8-5-18-6-9-21)14-16(17)19-4-1-7-20-10-12-25-13-11-20/h2-3,14,18-19H,1,4-13H2/p+1