N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]quinoline-2-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]quinoline-2-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]quinoline-2-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-2-quinolinecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]quinoline-2-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]quinaldamide Formula: C17H21N4O2+ MolecularWeight: 313.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NC3=CC=CC=C3C=C2)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NC3=CC=CC=C3C=C2)CC(=O)N

InChI

InChI=1S/C17H20N4O2/c18-16(22)11-21-9-7-13(8-10-21)19-17(23)15-6-5-12-3-1-2-4-14(12)20-15/h1-6,13H,7-11H2,(H2,18,22)(H,19,23)/p+1