(2-chloranyl-5-nitro-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: (2-chloro-5-nitro-benzyl)-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C14H22ClN3O2+2 MolecularWeight: 299.79638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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