ethyl 2-[2-[(1S)-1-morpholin-4-ium-4-ylethyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(1S)-1-morpholin-4-ium-4-ylethyl]-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: ethyl 2-[2-[(1S)-1-morpholin-4-ium-4-ylethyl]-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[(1S)-1-(4-morpholin-4-iumyl)ethyl]-4-oxo-3-quinazolinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1S)-1-morpholin-4-ium-4-ylethyl]-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[(1S)-1-morpholin-4-ium-4-ylethyl]quinazolin-3-yl]acetic acid ethyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)C2=CC=CC=C2N=C1C(C)[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CN1C(=O)C2=CC=CC=C2N=C1[C@H](C)[NH+]3CCOCC3

InChI

InChI=1S/C18H23N3O4/c1-3-25-16(22)12-21-17(13(2)20-8-10-24-11-9-20)19-15-7-5-4-6-14(15)18(21)23/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m0/s1