(2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbomethoxypiperidin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C18H22N2O4/c1-11-15(13-5-3-4-6-14(13)19-11)16(17(21)22)20-9-7-12(8-10-20)18(23)24-2/h3-6,12,16,19H,7-10H2,1-2H3,(H,21,22)/t16-/m0/s1