methyl 6-methoxy-1-oxidanidyl-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylate

Systemtic Name: methyl 6-methoxy-1-oxidanidyl-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylate Openeye Name: methyl 6-methoxy-1-oxido-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylate CAS Name: 6-methoxy-1-oxido-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylic acid methyl ester IUPAC Name: methyl 6-methoxy-1-oxido-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylate Traditional Name: 6-methoxy-1-oxido-3-phenyl-3,3a,4,5-tetrahydro-2H-indol-1-ium-4-carboxylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[N+](CC(C2C(C1)C(=O)OC)C3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=CC2=[N+](CC(C2C(C1)C(=O)OC)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H19NO4/c1-21-12-8-13(17(19)22-2)16-14(10-18(20)15(16)9-12)11-6-4-3-5-7-11/h3-7,9,13-14,16H,8,10H2,1-2H3