(2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl benzoate

Systemtic Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl benzoate Openeye Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl benzoate CAS Name: benzoic acid (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl ester IUPAC Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl benzoate Traditional Name: benzoic acid (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl ester Formula: C27H26NO2+ MolecularWeight: 396.50084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCC2=C(C1)C(C3=CC=CC=C23)C4=CC=CC=C4)COC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H26NO2/c1-28(19-30-27(29)21-12-6-3-7-13-21)17-16-23-22-14-8-9-15-24(22)26(25(23)18-28)20-10-4-2-5-11-20/h2-15,26H,16-19H2,1H3/q+1