1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one

Systemtic Name: 1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Openeye Name: 1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one CAS Name: 1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one IUPAC Name: 1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Traditional Name: 1-butyl-7,7-dimethyl-3-phenethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Formula: C22H33N2O+ MolecularWeight: 341.51022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C[NH+](CC2=C1CC(CC2=O)(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O/c1-4-5-12-24-17-23(13-11-18-9-7-6-8-10-18)16-19-20(24)14-22(2,3)15-21(19)25/h6-10H,4-5,11-17H2,1-3H3/p+1