2-[(1R)-1-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H22N4O2/c1-14(19-21-18-5-3-2-4-17(18)20(26)22-19)23-10-12-24(13-11-23)15-6-8-16(25)9-7-15/h2-9,14,25H,10-13H2,1H3,(H,21,22,26)/p+1/t14-/m1/s1