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

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

InChI

InChI=1S/C27H28N4O2/c32-27(33)26(31-18-16-30(17-19-31)15-12-20-10-13-28-14-11-20)24-22-8-4-5-9-23(22)29-25(24)21-6-2-1-3-7-21/h1-11,13-14,26,29H,12,15-19H2,(H,32,33)/t26-/m1/s1