(5S)-5-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-2-oxidanylidene-5-phenyl-3,4-dihydropyridin-6-olate

Systemtic Name: (5S)-5-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-2-oxidanylidene-5-phenyl-3,4-dihydropyridin-6-olate Openeye Name: (5S)-5-[1-[(4-iodophenyl)methyl]-1-methyl-piperidin-1-ium-4-yl]-2-oxo-5-phenyl-3,4-dihydropyridin-6-olate CAS Name: (5S)-5-[1-[(4-iodophenyl)methyl]-1-methyl-4-piperidin-1-iumyl]-2-oxo-5-phenyl-3,4-dihydropyridin-6-olate IUPAC Name: (5S)-5-[1-[(4-iodophenyl)methyl]-1-methylpiperidin-1-ium-4-yl]-2-oxo-5-phenyl-3,4-dihydropyridin-6-olate Traditional Name: (5S)-5-[1-(4-iodobenzyl)-1-methyl-piperidin-1-ium-4-yl]-2-keto-5-phenyl-3,4-dihydropyridin-6-olate Formula: C24H27IN2O2 MolecularWeight: 502.38785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)C2(CCC(=O)N=C2[O-])C3=CC=CC=C3)CC4=CC=C(C=C4)I

Isomeric SMILES

C[N+]1(CCC(CC1)[C@@]2(CCC(=O)N=C2[O-])C3=CC=CC=C3)CC4=CC=C(C=C4)I

InChI

InChI=1S/C24H27IN2O2/c1-27(17-18-7-9-21(25)10-8-18)15-12-20(13-16-27)24(19-5-3-2-4-6-19)14-11-22(28)26-23(24)29/h2-10,20H,11-17H2,1H3/t20?,24-,27?/m1/s1