7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-1-ium-2-yl]propyl]quinazolin-4-one

Systemtic Name: 7-bromanyl-6-chloranyl-3-[2-oxidanylidene-3-[(2R,3S)-3-oxidanylpiperidin-1-ium-2-yl]propyl]quinazolin-4-one Openeye Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-1-ium-2-yl]-2-oxo-propyl]quinazolin-4-one CAS Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidin-1-iumyl]-2-oxopropyl]-4-quinazolinone IUPAC Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-1-ium-2-yl]-2-oxopropyl]quinazolin-4-one Traditional Name: 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-1-ium-2-yl]-2-keto-propyl]quinazolin-4-one Formula: C16H18BrClN3O3+ MolecularWeight: 415.68942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C([NH2+]C1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

Isomeric SMILES

C1C[C@@H]([C@H]([NH2+]C1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O

InChI

InChI=1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/p+1/t14-,15+/m1/s1