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

Systemtic Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)acetate CAS Name: (2S)-2-(4-methoxycarbonyl-1-piperidin-1-iumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-methoxycarbonylpiperidin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-carbomethoxypiperidin-1-ium-1-yl)acetate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H26N2O5/c1-30-24(29)17-9-11-26(12-10-17)22(23(27)28)20-14-25-21-8-7-18(13-19(20)21)31-15-16-5-3-2-4-6-16/h2-8,13-14,17,22,25H,9-12,15H2,1H3,(H,27,28)/t22-/m0/s1