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

Systemtic Name: 4-[[6-(cyclooctylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(cyclooctylamino)pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(cyclooctylamino)-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(cyclooctylamino)pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(cyclooctylamino)pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCCC(CCC1)NC2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H25N3O3/c21-16(10-11-17(22)23)20-14-8-9-15(18-12-14)19-13-6-4-2-1-3-5-7-13/h8-9,12-13H,1-7,10-11H2,(H,18,19)(H,20,21)(H,22,23)