N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-amine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylmethyl)piperidin-1-ium-4-amine Openeye Name: 1-benzyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-1-(phenylmethyl)-4-piperidin-1-iumamine IUPAC Name: 1-benzyl-N-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)15-6-7-17(18(12-15)25(26)27)23-16-8-10-24(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,23H,8-11,13H2/p+1