(3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid

Systemtic Name: (3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid Openeye Name: (3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid CAS Name: (3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid IUPAC Name: (3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid Traditional Name: (3aR,7aR)-1-methyl-2-phenyl-3,3a,4,5,6,7-hexahydroindol-1-ium-7a-carboxylic acid Formula: C16H20NO2+ MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CC2C1(CCCC2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(C[C@@H]2[C@]1(CCCC2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H19NO2/c1-17-14(12-7-3-2-4-8-12)11-13-9-5-6-10-16(13,17)15(18)19/h2-4,7-8,13H,5-6,9-11H2,1H3/p+1/t13-,16-/m1/s1