[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: [(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCCO2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O3/c1-14(2)21(15-8-9-18-19(12-15)28-11-5-10-27-18)23-13-20-24-17-7-4-3-6-16(17)22(26)25-20/h3-4,6-9,12,14,21,23H,5,10-11,13H2,1-2H3,(H,24,25,26)/p+1/t21-/m0/s1