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

Systemtic Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl octanoate Openeye Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl octanoate CAS Name: octanoic 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 octanoate Traditional Name: caprylic acid (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl ester Formula: C28H36NO2+ MolecularWeight: 418.59094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36NO2/c1-3-4-5-6-10-17-27(30)31-21-29(2)19-18-24-23-15-11-12-16-25(23)28(26(24)20-29)22-13-8-7-9-14-22/h7-9,11-16,28H,3-6,10,17-21H2,1-2H3/q+1