(2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbomethoxypiperidin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC(CC3)C(=O)OC

InChI

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