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

Systemtic Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl heptanoate Openeye Name: (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl heptanoate CAS Name: heptanoic 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 heptanoate Traditional Name: enanthic acid (2-methyl-9-phenyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-ium-2-yl)methyl ester Formula: C27H34NO2+ MolecularWeight: 404.56436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34NO2/c1-3-4-5-9-16-26(29)30-20-28(2)18-17-23-22-14-10-11-15-24(22)27(25(23)19-28)21-12-7-6-8-13-21/h6-8,10-15,27H,3-5,9,16-20H2,1-2H3/q+1