(3R)-3-methyl-1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium

Systemtic Name: (3R)-3-methyl-1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium Openeye Name: (3R)-3-methyl-1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium CAS Name: (3R)-3-methyl-1-[4-(4-methyl-2-nitrophenoxy)butyl]piperidin-1-ium IUPAC Name: (3R)-3-methyl-1-[4-(4-methyl-2-nitrophenoxy)butyl]piperidin-1-ium Traditional Name: (3R)-3-methyl-1-[4-(4-methyl-2-nitro-phenoxy)butyl]piperidin-1-ium Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CCCCOC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N2O3/c1-14-7-8-17(16(12-14)19(20)21)22-11-4-3-9-18-10-5-6-15(2)13-18/h7-8,12,15H,3-6,9-11,13H2,1-2H3/p+1/t15-/m1/s1