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

Systemtic Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-carbethoxypiperazin-1-ium-1-yl)acetate Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H27N3O5/c1-2-31-24(30)27-12-10-26(11-13-27)22(23(28)29)20-15-25-21-9-8-18(14-19(20)21)32-16-17-6-4-3-5-7-17/h3-9,14-15,22,25H,2,10-13,16H2,1H3,(H,28,29)/t22-/m0/s1