(3S)-1-[3-(4-oxidanylidenequinazolin-3-yl)propyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[3-(4-oxidanylidenequinazolin-3-yl)propyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-(4-oxoquinazolin-3-yl)propyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-(4-oxo-3-quinazolinyl)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-(4-oxoquinazolin-3-yl)propyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-(4-ketoquinazolin-3-yl)propyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=NC3=CC=CC=C3C2=O)C(=O)N

InChI

InChI=1S/C17H22N4O2/c18-16(22)13-5-3-8-20(11-13)9-4-10-21-12-19-15-7-2-1-6-14(15)17(21)23/h1-2,6-7,12-13H,3-5,8-11H2,(H2,18,22)/p+1/t13-/m0/s1