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

Systemtic Name: dimethyl-[2-[[(1S)-1-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)propyl]azaniumyl]ethyl]azanium Openeye Name: dimethyl-[2-[[(1S)-1-(4-oxo-3-phenyl-quinazolin-2-yl)propyl]ammonio]ethyl]ammonium CAS Name: dimethyl-[2-[[(1S)-1-(4-oxo-3-phenyl-2-quinazolinyl)propyl]ammonio]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(1S)-1-(4-oxo-3-phenylquinazolin-2-yl)propyl]azaniumyl]ethyl]azanium Traditional Name: 2-[[(1S)-1-(4-keto-3-phenyl-quinazolin-2-yl)propyl]ammonio]ethyl-dimethyl-ammonium Formula: C21H28N4O+2 MolecularWeight: 352.47322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c1-4-18(22-14-15-24(2)3)20-23-19-13-9-8-12-17(19)21(26)25(20)16-10-6-5-7-11-16/h5-13,18,22H,4,14-15H2,1-3H3/p+2/t18-/m0/s1