(3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium

Systemtic Name: (3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium Openeye Name: (3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium CAS Name: (3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidin-1-ium IUPAC Name: (3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitrophenoxy)ethyl]piperidin-1-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-[2-(3-methyl-4-nitro-phenoxy)ethyl]piperidin-1-ium Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOC2=CC(=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C16H24N2O3/c1-12-8-13(2)11-17(10-12)6-7-21-15-4-5-16(18(19)20)14(3)9-15/h4-5,9,12-13H,6-8,10-11H2,1-3H3/p+1/t12-,13-/m1/s1