(3R)-N-[(4-methoxy-3-nitro-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine

Systemtic Name: (3R)-N-[(4-methoxy-3-nitro-phenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Openeye Name: (3R)-N-[(4-methoxy-3-nitro-phenyl)methyl]quinuclidin-1-ium-3-amine CAS Name: (3R)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine IUPAC Name: (3R)-N-[(4-methoxy-3-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-amine Traditional Name: (4-methoxy-3-nitro-benzyl)-[(3R)-quinuclidin-1-ium-3-yl]amine Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2C[NH+]3CCC2CC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CN[C@H]2C[NH+]3CCC2CC3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-21-15-3-2-11(8-14(15)18(19)20)9-16-13-10-17-6-4-12(13)5-7-17/h2-3,8,12-13,16H,4-7,9-10H2,1H3/p+1/t13-/m0/s1