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

Systemtic Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(2-adamantyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C24H31N3O2/c28-24(29)23(20-14-25-21-4-2-1-3-19(20)21)27-7-5-26(6-8-27)22-17-10-15-9-16(12-17)13-18(22)11-15/h1-4,14-18,22-23,25H,5-13H2,(H,28,29)/t15?,16?,17?,18?,22?,23-/m1/s1