[(1R)-1-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]propyl]-(phenylmethyl)azanium

Systemtic Name: [(1R)-1-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-1-(3-benzyl-4-oxo-quinazolin-2-yl)propyl]ammonium CAS Name: [(1R)-1-[4-oxo-3-(phenylmethyl)-2-quinazolinyl]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(1R)-1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]azanium Traditional Name: benzyl-[(1R)-1-(3-benzyl-4-keto-quinazolin-2-yl)propyl]ammonium Formula: C25H26N3O+ MolecularWeight: 384.49344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[NH2+]CC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)[NH2+]CC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O/c1-2-22(26-17-19-11-5-3-6-12-19)24-27-23-16-10-9-15-21(23)25(29)28(24)18-20-13-7-4-8-14-20/h3-16,22,26H,2,17-18H2,1H3/p+1/t22-/m1/s1