8-[(2-methoxy-5-nitro-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide

Systemtic Name: 8-[(2-methoxy-5-nitro-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide Openeye Name: 8-[(2-methoxy-5-nitro-phenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide CAS Name: 8-[(2-methoxy-5-nitrophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide IUPAC Name: 8-[(2-methoxy-5-nitrophenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide Traditional Name: 8-(2-methoxy-5-nitro-benzyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-ol bromide Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)O)CC3=C(C=CC(=C3)[N+](=O)[O-])OC.[Br-]

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)O)CC3=C(C=CC(=C3)[N+](=O)[O-])OC.[Br-]

InChI

InChI=1S/C16H23N2O4.BrH/c1-18(13-4-5-14(18)9-15(19)8-13)10-11-7-12(17(20)21)3-6-16(11)22-2;/h3,6-7,13-15,19H,4-5,8-10H2,1-2H3;1H/q+1;/p-1