4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(1-adamantylamino)-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(1-adamantylamino)pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=C(C=C4)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=[NH+]C=C(C=C4)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H25N3O3/c23-17(3-4-18(24)25)21-15-1-2-16(20-11-15)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-2,11-14H,3-10H2,(H,20,22)(H,21,23)(H,24,25)