(3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium

Systemtic Name: (3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Openeye Name: (3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium CAS Name: (3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium IUPAC Name: (3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Traditional Name: (3S,5S)-3,5-dimethyl-1-[3-(2-nitrophenoxy)propyl]piperidin-1-ium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-13-10-14(2)12-17(11-13)8-5-9-21-16-7-4-3-6-15(16)18(19)20/h3-4,6-7,13-14H,5,8-12H2,1-2H3/p+1/t13-,14-/m0/s1