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

Systemtic Name: 2-[(1R)-1-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-furoyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C19H21N4O3+ MolecularWeight: 353.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C19H20N4O3/c1-13(17-20-15-6-3-2-5-14(15)18(24)21-17)22-8-10-23(11-9-22)19(25)16-7-4-12-26-16/h2-7,12-13H,8-11H2,1H3,(H,20,21,24)/p+1/t13-/m1/s1