(4-fluorophenyl)-[1-methyl-1-[(Z)-1-nitropent-1-en-2-yl]piperidin-1-ium-4-yl]methanone

Systemtic Name: (4-fluorophenyl)-[1-methyl-1-[(Z)-1-nitropent-1-en-2-yl]piperidin-1-ium-4-yl]methanone Openeye Name: (4-fluorophenyl)-[1-methyl-1-[(1Z)-1-(nitromethylene)butyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-fluorophenyl)-[1-methyl-1-[(Z)-1-nitropent-1-en-2-yl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-fluorophenyl)-[1-methyl-1-[(Z)-1-nitropent-1-en-2-yl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-fluorophenyl)-[1-methyl-1-[(Z)-2-nitro-1-propyl-vinyl]piperidin-1-ium-4-yl]methanone Formula: C18H24FN2O3+ MolecularWeight: 335.393163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C[N+](=O)[O-])[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CCC/C(=C/[N+](=O)[O-])/[N+]1(CCC(CC1)C(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H24FN2O3/c1-3-4-17(13-20(23)24)21(2)11-9-15(10-12-21)18(22)14-5-7-16(19)8-6-14/h5-8,13,15H,3-4,9-12H2,1-2H3/q+1/b17-13-