(2R)-2-(5-chloranyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-chloranyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate CAS Name: (2R)-2-(5-chloro-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-(5-chloro-1H-indol-3-yl)acetate Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C(C3=CNC4=C3C=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H](C3=CNC4=C3C=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C22H23ClN2O2/c23-17-6-7-20-18(13-17)19(14-24-20)21(22(26)27)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13-14,16,21,24H,8-12H2,(H,26,27)/t21-/m1/s1