2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: homoveratryl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3/c1-14(20-22-17-8-6-5-7-16(17)21(25)23-20)24(2)12-11-15-9-10-18(26-3)19(13-15)27-4/h5-10,13-14H,11-12H2,1-4H3,(H,22,23,25)/p+1/t14-/m1/s1