1-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-4-carboxamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C16H20N4O2/c1-10(20-8-6-11(7-9-20)14(17)21)15-18-13-5-3-2-4-12(13)16(22)19-15/h2-5,10-11H,6-9H2,1H3,(H2,17,21)(H,18,19,22)/p+1/t10-/m0/s1