(2S)-2-(1-adamantyl)-2-(cyclohexylazaniumyl)ethanoate

Systemtic Name: (2S)-2-(1-adamantyl)-2-(cyclohexylazaniumyl)ethanoate Openeye Name: (2S)-2-(1-adamantyl)-2-(cyclohexylammonio)acetate CAS Name: (2S)-2-(1-adamantyl)-2-(cyclohexylammonio)acetate IUPAC Name: (2S)-2-(1-adamantyl)-2-(cyclohexylazaniumyl)acetate Traditional Name: (2S)-2-(1-adamantyl)-2-(cyclohexylammonio)acetate Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH2+]C(C(=O)[O-])C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1CCC(CC1)[NH2+][C@H](C(=O)[O-])C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H29NO2/c20-17(21)16(19-15-4-2-1-3-5-15)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-16,19H,1-11H2,(H,20,21)/t12?,13?,14?,16-,18?/m1/s1