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

Systemtic Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H24N4O2/c1-15(20-22-17-8-4-3-7-16(17)21(26)23-20)24-11-13-25(14-12-24)18-9-5-6-10-19(18)27-2/h3-10,15H,11-14H2,1-2H3,(H,22,23,26)/p+1/t15-/m1/s1