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

Systemtic Name: 2-[(1R)-1-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-benzhydrylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O/c1-20(26-28-24-15-9-8-14-23(24)27(32)29-26)30-16-18-31(19-17-30)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3,(H,28,29,32)/p+1/t20-/m1/s1