5-chloranyl-3-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinazolin-4-one

Systemtic Name: 5-chloranyl-3-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]quinazolin-4-one Openeye Name: 5-chloro-3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]quinazolin-4-one CAS Name: 5-chloro-3-[2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 5-chloro-3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]quinazolin-4-one Traditional Name: 5-chloro-3-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]quinazolin-4-one Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCN2C=NC3=C(C2=O)C(=CC=C3)Cl)O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCN2C=NC3=C(C2=O)C(=CC=C3)Cl)O

InChI

InChI=1S/C15H18ClN3O2/c16-12-4-1-5-13-14(12)15(21)19(10-17-13)8-7-18-6-2-3-11(20)9-18/h1,4-5,10-11,20H,2-3,6-9H2/p+1/t11-/m0/s1