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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]acetate Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H24N4O2/c1-15-19(17-4-2-3-5-18(17)23-15)20(21(26)27)25-12-10-24(11-13-25)14-16-6-8-22-9-7-16/h2-9,20,23H,10-14H2,1H3,(H,26,27)/t20-/m0/s1