2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCC[C@@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-16(22-24-20-9-6-5-8-19(20)23(27)25-22)26-15-7-3-4-10-21(26)17-11-13-18(28-2)14-12-17/h5-6,8-9,11-14,16,21H,3-4,7,10,15H2,1-2H3,(H,24,25,27)/p+1/t16-,21+/m0/s1