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

Systemtic Name: 1-cyclohexyl-7,7-dimethyl-3-(phenylmethyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Openeye Name: 3-benzyl-1-cyclohexyl-7,7-dimethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one CAS Name: 1-cyclohexyl-7,7-dimethyl-3-(phenylmethyl)-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one IUPAC Name: 3-benzyl-1-cyclohexyl-7,7-dimethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Traditional Name: 3-benzyl-1-cyclohexyl-7,7-dimethyl-3,4,6,8-tetrahydro-2H-quinazolin-3-ium-5-one Formula: C23H33N2O+ MolecularWeight: 353.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C[NH+](CN2C3CCCCC3)CC4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C[NH+](CN2C3CCCCC3)CC4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C23H32N2O/c1-23(2)13-21-20(22(26)14-23)16-24(15-18-9-5-3-6-10-18)17-25(21)19-11-7-4-8-12-19/h3,5-6,9-10,19H,4,7-8,11-17H2,1-2H3/p+1