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

Systemtic Name: 4-[[6-(cycloheptylamino)pyridin-1-ium-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-(cycloheptylamino)pyridin-1-ium-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[6-(cycloheptylamino)-3-pyridin-1-iumyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-(cycloheptylamino)pyridin-1-ium-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[6-(cycloheptylamino)pyridin-1-ium-3-yl]amino]-4-keto-butyrate Formula: C16H23N3O3 MolecularWeight: 305.37212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23N3O3/c20-15(9-10-16(21)22)19-13-7-8-14(17-11-13)18-12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H,17,18)(H,19,20)(H,21,22)