(2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(5-chloranyl-2-oxidanyl-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(5-chloro-2-hydroxy-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(5-chloro-2-hydroxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(5-chloro-2-hydroxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(5-chloro-2-hydroxy-phenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(NC3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Cl)O

Isomeric SMILES

C1COCC[NH+]1CCCN2[C@H](NC3=CC=CC=C3C2=O)C4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C21H24ClN3O3/c22-15-6-7-19(26)17(14-15)20-23-18-5-2-1-4-16(18)21(27)25(20)9-3-8-24-10-12-28-13-11-24/h1-2,4-7,14,20,23,26H,3,8-13H2/p+1/t20-/m0/s1