2-[[(1S)-1-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1S)-1-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-1-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1S)-1-[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1S)-1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-1-(4-keto-3-o-phenetyl-quinazolin-2-yl)ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C22H30N4O2+2 MolecularWeight: 382.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC[NH+](C)C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C22H28N4O2/c1-5-28-20-13-9-8-12-19(20)26-21(16(2)23-14-15-25(3)4)24-18-11-7-6-10-17(18)22(26)27/h6-13,16,23H,5,14-15H2,1-4H3/p+2/t16-/m0/s1