[(1S)-1-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium

Systemtic Name: [(1S)-1-[3-(2-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium Openeye Name: [(1S)-1-[3-(2-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]-(2-methoxyethyl)ammonium CAS Name: [(1S)-1-[3-(2-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]-(2-methoxyethyl)ammonium IUPAC Name: [(1S)-1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-(2-methoxyethyl)azanium Traditional Name: [(1S)-1-[3-(2-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]-(2-methoxyethyl)ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CCOC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CCOC

InChI

InChI=1S/C21H25N3O2/c1-4-16-9-5-8-12-19(16)24-20(15(2)22-13-14-26-3)23-18-11-7-6-10-17(18)21(24)25/h5-12,15,22H,4,13-14H2,1-3H3/p+1/t15-/m0/s1