7-bromanyl-6-chloranyl-3-(2-oxidanylidenepropyl)-3-(3-oxidanylpiperidin-2-yl)quinazolin-3-ium-4-one

Systemtic Name: 7-bromanyl-6-chloranyl-3-(2-oxidanylidenepropyl)-3-(3-oxidanylpiperidin-2-yl)quinazolin-3-ium-4-one Openeye Name: 3-acetonyl-7-bromo-6-chloro-3-(3-hydroxy-2-piperidyl)quinazolin-3-ium-4-one CAS Name: 7-bromo-6-chloro-3-(3-hydroxy-2-piperidinyl)-3-(2-oxopropyl)-4-quinazolin-3-iumone IUPAC Name: 7-bromo-6-chloro-3-(3-hydroxypiperidin-2-yl)-3-(2-oxopropyl)quinazolin-3-ium-4-one Traditional Name: 3-acetonyl-7-bromo-6-chloro-3-(3-hydroxy-2-piperidyl)quinazolin-3-ium-4-one Formula: C16H18BrClN3O3+ MolecularWeight: 415.68942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1(C=NC2=CC(=C(C=C2C1=O)Cl)Br)C3C(CCCN3)O

Isomeric SMILES

CC(=O)C[N+]1(C=NC2=CC(=C(C=C2C1=O)Cl)Br)C3C(CCCN3)O

InChI

InChI=1S/C16H18BrClN3O3/c1-9(22)7-21(15-14(23)3-2-4-19-15)8-20-13-6-11(17)12(18)5-10(13)16(21)24/h5-6,8,14-15,19,23H,2-4,7H2,1H3/q+1