5,5-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,4-dihydro-2H-pyridin-1-ium bromide

Systemtic Name: 5,5-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,4-dihydro-2H-pyridin-1-ium bromide Openeye Name: 5,5-diethyl-1-[(E)-3-(2-nitrophenyl)allyl]-3,4-dihydro-2H-pyridin-1-ium bromide CAS Name: 5,5-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,4-dihydro-2H-pyridin-1-ium bromide IUPAC Name: 5,5-diethyl-1-[(E)-3-(2-nitrophenyl)prop-2-enyl]-3,4-dihydro-2H-pyridin-1-ium bromide Traditional Name: 5,5-diethyl-1-[(E)-3-(2-nitrophenyl)allyl]-3,4-dihydro-2H-pyridin-1-ium bromide Formula: C18H25BrN2O2 MolecularWeight: 381.3073

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC[N+](=C1)CC=CC2=CC=CC=C2[N+](=O)[O-])CC.[Br-]

Isomeric SMILES

CCC1(CCC[N+](=C1)C/C=C/C2=CC=CC=C2[N+](=O)[O-])CC.[Br-]

InChI

InChI=1S/C18H25N2O2.BrH/c1-3-18(4-2)12-8-14-19(15-18)13-7-10-16-9-5-6-11-17(16)20(21)22;/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3;1H/q+1;/p-1/b10-7+;