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

Systemtic Name: (2R)-2-(4-chloranyl-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-chloro-1H-indol-3-yl)-2-[4-(4-pyridylmethyl)piperazin-1-ium-1-yl]acetate Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C(=CC=C3)Cl)C(=O)[O-])CC4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C(=CC=C3)Cl)C(=O)[O-])CC4=CC=NC=C4

InChI

InChI=1S/C20H21ClN4O2/c21-16-2-1-3-17-18(16)15(12-23-17)19(20(26)27)25-10-8-24(9-11-25)13-14-4-6-22-7-5-14/h1-7,12,19,23H,8-11,13H2,(H,26,27)/t19-/m1/s1