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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]acetate Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CN=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CN=CC=C4

InChI

InChI=1S/C20H22N4O2/c25-20(26)19(17-13-22-18-6-2-1-5-16(17)18)24-10-8-23(9-11-24)14-15-4-3-7-21-12-15/h1-7,12-13,19,22H,8-11,14H2,(H,25,26)/t19-/m1/s1