N-[2-(chloromethyl)-4-nitro-phenyl]-N,1-dimethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[2-(chloromethyl)-4-nitro-phenyl]-N,1-dimethyl-piperidin-1-ium-4-amine Openeye Name: N-[2-(chloromethyl)-4-nitro-phenyl]-N,1-dimethyl-piperidin-1-ium-4-amine CAS Name: N-[2-(chloromethyl)-4-nitrophenyl]-N,1-dimethyl-4-piperidin-1-iumamine IUPAC Name: N-[2-(chloromethyl)-4-nitrophenyl]-N,1-dimethylpiperidin-1-ium-4-amine Traditional Name: [2-(chloromethyl)-4-nitro-phenyl]-methyl-(1-methylpiperidin-1-ium-4-yl)amine Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=C(C=C(C=C2)[N+](=O)[O-])CCl

InChI

InChI=1S/C14H20ClN3O2/c1-16-7-5-12(6-8-16)17(2)14-4-3-13(18(19)20)9-11(14)10-15/h3-4,9,12H,5-8,10H2,1-2H3/p+1