(2S)-2-(5-methyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H22N4O2/c1-14-5-6-17-15(12-14)16(13-22-17)19(20(25)26)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-7,12-13,19,22H,8-11H2,1H3,(H,25,26)/t19-/m0/s1