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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CN(C1CCCCC1)C2=[NH+]C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H23N3O3/c1-19(13-5-3-2-4-6-13)14-8-7-12(11-17-14)18-15(20)9-10-16(21)22/h7-8,11,13H,2-6,9-10H2,1H3,(H,18,20)(H,21,22)