(4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O/c1-5-25(14-16-10-12-17(13-11-16)24(3)4)15(2)20-22-19-9-7-6-8-18(19)21(26)23-20/h6-13,15H,5,14H2,1-4H3,(H,22,23,26)/p+1/t15-/m1/s1