2-[[(1R)-1-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]azaniumyl]ethyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)[NH2+]CC[NH+](C)C

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C22H28N4O2/c1-5-19(23-14-15-25(2)3)21-24-20-9-7-6-8-18(20)22(27)26(21)16-10-12-17(28-4)13-11-16/h6-13,19,23H,5,14-15H2,1-4H3/p+2/t19-/m1/s1