(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetate Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C23H27N3O4/c1-3-30-21-7-5-4-6-20(21)25-10-12-26(13-11-25)22(23(27)28)18-15-24-19-9-8-16(29-2)14-17(18)19/h4-9,14-15,22,24H,3,10-13H2,1-2H3,(H,27,28)/t22-/m0/s1