6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxidanylidene-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-N-(3-quinolylmethyl)-1H-pyridine-3-carboxamide CAS Name: 6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-oxo-N-(3-quinolinylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-oxo-N-(quinolin-3-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 2-keto-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-N-(3-quinolylmethyl)-1H-pyridine-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H26N4O2/c1-16-5-4-10-27(14-16)15-19-8-9-20(23(29)26-19)22(28)25-13-17-11-18-6-2-3-7-21(18)24-12-17/h2-3,6-9,11-12,16H,4-5,10,13-15H2,1H3,(H,25,28)(H,26,29)/p+1/t16-/m0/s1