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

Systemtic Name: 2-[[(1S)-1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1S)-1-[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1S)-1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-1-[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C22H30N4O+2 MolecularWeight: 366.4998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)[NH2+]CC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2[C@H](C)[NH2+]CC[NH+](C)C)C

InChI

InChI=1S/C22H28N4O/c1-15-10-11-18(14-16(15)2)26-21(17(3)23-12-13-25(4)5)24-20-9-7-6-8-19(20)22(26)27/h6-11,14,17,23H,12-13H2,1-5H3/p+2/t17-/m0/s1