N-[(5-chloranyl-2-nitro-phenyl)methyl]-N,1-dimethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[(5-chloranyl-2-nitro-phenyl)methyl]-N,1-dimethyl-piperidin-1-ium-4-amine Openeye Name: N-[(5-chloro-2-nitro-phenyl)methyl]-N,1-dimethyl-piperidin-1-ium-4-amine CAS Name: N-[(5-chloro-2-nitrophenyl)methyl]-N,1-dimethyl-4-piperidin-1-iumamine IUPAC Name: N-[(5-chloro-2-nitrophenyl)methyl]-N,1-dimethylpiperidin-1-ium-4-amine Traditional Name: (5-chloro-2-nitro-benzyl)-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)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

InChI

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