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

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O3/c1-15-20(18-5-3-4-6-19(18)23-15)21(22(26)27)25-13-11-24(12-14-25)16-7-9-17(28-2)10-8-16/h3-10,21,23H,11-14H2,1-2H3,(H,26,27)/t21-/m0/s1