N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H21F3N3O3+ MolecularWeight: 384.37285

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H20F3N3O3/c19-18(20,21)13-6-7-14(15(11-13)24(25)26)22-12-16(17-5-4-10-27-17)23-8-2-1-3-9-23/h4-7,10-11,16,22H,1-3,8-9,12H2/p+1/t16-/m0/s1