(3S)-1-[(5-chloranyl-2-nitro-phenyl)methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[(5-chloranyl-2-nitro-phenyl)methyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[(5-chloro-2-nitro-phenyl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-(5-chloro-2-nitro-benzyl)-3-methyl-piperidin-1-ium Formula: C13H18ClN2O2+ MolecularWeight: 269.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H17ClN2O2/c1-10-3-2-6-15(8-10)9-11-7-12(14)4-5-13(11)16(17)18/h4-5,7,10H,2-3,6,8-9H2,1H3/p+1/t10-/m0/s1