(3S)-3-methyl-1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperidin-1-ium Openeye Name: (3S)-3-methyl-1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperidin-1-ium CAS Name: (3S)-3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidin-1-ium Traditional Name: (3S)-3-methyl-1-[3-(3-methyl-4-nitro-phenoxy)propyl]piperidin-1-ium Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-13-5-3-8-17(12-13)9-4-10-21-15-6-7-16(18(19)20)14(2)11-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3/p+1/t13-/m0/s1