N-(4-chloranyl-3-nitro-phenyl)-1-methyl-piperidin-1-ium-4-amine

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-1-methyl-piperidin-1-ium-4-amine Openeye Name: N-(4-chloro-3-nitro-phenyl)-1-methyl-piperidin-1-ium-4-amine CAS Name: N-(4-chloro-3-nitrophenyl)-1-methyl-4-piperidin-1-iumamine IUPAC Name: N-(4-chloro-3-nitrophenyl)-1-methylpiperidin-1-ium-4-amine Traditional Name: (4-chloro-3-nitro-phenyl)-(1-methylpiperidin-1-ium-4-yl)amine Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN3O2/c1-15-6-4-9(5-7-15)14-10-2-3-11(13)12(8-10)16(17)18/h2-3,8-9,14H,4-7H2,1H3/p+1