(2S)-2-(3-bromophenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one

Systemtic Name: (2S)-2-(3-bromophenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Openeye Name: (2S)-2-(3-bromophenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one CAS Name: (2S)-2-(3-bromophenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-1,2-dihydroquinazolin-4-one IUPAC Name: (2S)-2-(3-bromophenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Traditional Name: (2S)-2-(3-bromophenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-1,2-dihydroquinazolin-4-one Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2/c22-17-6-3-5-16(15-17)20-23-19-8-2-1-7-18(19)21(26)25(20)10-4-9-24-11-13-27-14-12-24/h1-3,5-8,15,20,23H,4,9-14H2/p+1/t20-/m0/s1