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

Systemtic Name: (2S)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(2-adamantyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C25H33N3O2/c1-15-22(20-4-2-3-5-21(20)26-15)24(25(29)30)28-8-6-27(7-9-28)23-18-11-16-10-17(13-18)14-19(23)12-16/h2-5,16-19,23-24,26H,6-14H2,1H3,(H,29,30)/t16?,17?,18?,19?,23?,24-/m0/s1