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

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylidene-1H-quinazolin-2-one Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylene-1H-quinazolin-2-one CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-methylene-1H-quinazolin-2-one IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylidene-1H-quinazolin-2-one Traditional Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-methylene-1H-quinazolin-2-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=C)C3=CC=CC=C3NC2=O

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=C)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C16H21N3O/c1-3-18-10-6-7-13(18)11-19-12(2)14-8-4-5-9-15(14)17-16(19)20/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3,(H,17,20)/p+1/t13-/m0/s1