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

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(4-benzylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C27H27N3O2 MolecularWeight: 425.52218

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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-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-27(32)26(30-17-15-29(16-18-30)19-20-9-3-1-4-10-20)24-22-13-7-8-14-23(22)28-25(24)21-11-5-2-6-12-21/h1-14,26,28H,15-19H2,(H,31,32)/t26-/m1/s1