N-[(2-methyl-3-nitro-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Openeye Name: N-[(2-methyl-3-nitro-phenyl)methyl]quinuclidin-3-amine CAS Name: N-[(2-methyl-3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine IUPAC Name: N-[(2-methyl-3-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine Traditional Name: (2-methyl-3-nitro-benzyl)-quinuclidin-3-yl-amine Formula: C15H21N3O2 MolecularWeight: 275.34614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CN3CCC2CC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CN3CCC2CC3

InChI

InChI=1S/C15H21N3O2/c1-11-13(3-2-4-15(11)18(19)20)9-16-14-10-17-7-5-12(14)6-8-17/h2-4,12,14,16H,5-10H2,1H3