7,7-dimethyl-3-(phenylmethyl)-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one

Systemtic Name: 7,7-dimethyl-3-(phenylmethyl)-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Openeye Name: 3-benzyl-7,7-dimethyl-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one CAS Name: 7,7-dimethyl-3-(phenylmethyl)-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one IUPAC Name: 3-benzyl-7,7-dimethyl-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Traditional Name: 3-benzyl-7,7-dimethyl-1-propyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Formula: C20H29N2O+ MolecularWeight: 313.45706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H28N2O/c1-4-10-22-15-21(13-16-8-6-5-7-9-16)14-17-18(22)11-20(2,3)12-19(17)23/h5-9H,4,10-15H2,1-3H3/p+1