N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]quinoline-8-carboxamide

Systemtic Name: N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]quinoline-8-carboxamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]quinoline-8-carboxamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-8-quinolinecarboxamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]quinoline-8-carboxamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]quinoline-8-carboxamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC3=C2N=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2/c28-21(25-18-8-2-1-3-9-18)16-27-14-11-19(12-15-27)26-23(29)20-10-4-6-17-7-5-13-24-22(17)20/h1-10,13,19H,11-12,14-16H2,(H,25,28)(H,26,29)/p+1