3-(3,4-dimethoxyphenyl)-1-oxidanidyl-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-oxidanidyl-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium Openeye Name: 3-(3,4-dimethoxyphenyl)-1-oxido-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium CAS Name: 3-(3,4-dimethoxyphenyl)-1-oxido-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-oxido-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium Traditional Name: 3-(3,4-dimethoxyphenyl)-1-oxido-3,3a,4,5,6,7-hexahydro-2H-indol-1-ium Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C[N+](=C3C2CCCC3)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C[N+](=C3C2CCCC3)[O-])OC

InChI

InChI=1S/C16H21NO3/c1-19-15-8-7-11(9-16(15)20-2)13-10-17(18)14-6-4-3-5-12(13)14/h7-9,12-13H,3-6,10H2,1-2H3