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

Systemtic Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)C(C3=C(NC4=CC=CC=C43)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=C(NC4=CC=CC=C43)C)C(=O)[O-])C

InChI

InChI=1S/C23H27N3O2/c1-15-8-9-20(16(2)14-15)25-10-12-26(13-11-25)22(23(27)28)21-17(3)24-19-7-5-4-6-18(19)21/h4-9,14,22,24H,10-13H2,1-3H3,(H,27,28)/t22-/m0/s1