4-azanyl-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-quinazolin-3-ium-2-one

Systemtic Name: 4-azanyl-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-quinazolin-3-ium-2-one Openeye Name: 4-amino-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-quinazolin-3-ium-2-one CAS Name: 4-amino-3-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-3-ium-2-one IUPAC Name: 4-amino-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-quinazolin-3-ium-2-one Traditional Name: 4-amino-3-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1H-quinazolin-3-ium-2-one Formula: C15H22N4O+2 MolecularWeight: 274.36138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1C[N+]2=C(C3=CC=CC=C3NC2=O)N

Isomeric SMILES

CC[NH+]1CCC[C@@H]1C[N+]2=C(C3=CC=CC=C3NC2=O)N

InChI

InChI=1S/C15H20N4O/c1-2-18-9-5-6-11(18)10-19-14(16)12-7-3-4-8-13(12)17-15(19)20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,16,17,20)/p+2/t11-/m1/s1