(2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]acetate Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CN=CC=C4

InChI

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