(3S)-1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)N

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C16H20N4O2/c1-10(20-8-4-5-11(9-20)14(17)21)15-18-13-7-3-2-6-12(13)16(22)19-15/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,17,21)(H,18,19,22)/p+1/t10-,11+/m1/s1