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

Systemtic Name: (3R,5R)-3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidin-1-ium Openeye Name: (3R,5R)-3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidin-1-ium CAS Name: (3R,5R)-3,5-dimethyl-1-[3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium IUPAC Name: (3R,5R)-3,5-dimethyl-1-[3-(4-methyl-2-nitrophenoxy)propyl]piperidin-1-ium Traditional Name: (3R,5R)-3,5-dimethyl-1-[3-(4-methyl-2-nitro-phenoxy)propyl]piperidin-1-ium Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCOC2=C(C=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCCOC2=C(C=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H26N2O3/c1-13-5-6-17(16(10-13)19(20)21)22-8-4-7-18-11-14(2)9-15(3)12-18/h5-6,10,14-15H,4,7-9,11-12H2,1-3H3/p+1/t14-,15-/m1/s1