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

Systemtic Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]methanone Openeye Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]methanone CAS Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[(3R,5R)-3,5-dimethyl-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]methanone Traditional Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[(3R,5R)-3,5-dimethylpiperazin-4-ium-1-yl]methanone Formula: C16H25N4O4+ MolecularWeight: 337.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC([NH2+]1)C)C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CN(C[C@H]([NH2+]1)C)C(=O)C2=CC(=C(C=C2OC)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4/c1-10-8-19(9-11(2)17-10)16(21)12-6-14(20(22)23)13(18(3)4)7-15(12)24-5/h6-7,10-11,17H,8-9H2,1-5H3/p+1/t10-,11-/m1/s1