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

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=C(C=C4)OC)C(=O)[O-])C

InChI

InChI=1S/C23H27N3O3/c1-15-4-7-21(16(2)12-15)25-8-10-26(11-9-25)22(23(27)28)19-14-24-20-6-5-17(29-3)13-18(19)20/h4-7,12-14,22,24H,8-11H2,1-3H3,(H,27,28)/t22-/m0/s1