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

Systemtic Name: 4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-pyridyl]amino]-4-oxo-butanoate CAS Name: 4-[[6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-3-pyridinyl]amino]-4-oxobutanoate IUPAC Name: 4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyridin-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-pyridyl]amino]butyrate Formula: C16H24N4O3 MolecularWeight: 320.38676

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C2=NC=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H24N4O3/c1-19-9-7-13(8-10-19)20(2)14-4-3-12(11-17-14)18-15(21)5-6-16(22)23/h3-4,11,13H,5-10H2,1-2H3,(H,18,21)(H,22,23)