[2-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [2-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholino-methanone CAS Name: [2-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]-5-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-5-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [2-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholino-methanone Formula: C17H25N4O4+ MolecularWeight: 349.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

InChI

InChI=1S/C17H24N4O4/c1-12-10-20(11-13(2)18-12)16-4-3-14(21(23)24)9-15(16)17(22)19-5-7-25-8-6-19/h3-4,9,12-13,18H,5-8,10-11H2,1-2H3/p+1/t12-,13-/m1/s1