7,7-dimethyl-3-(phenylmethyl)-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one

Systemtic Name: 7,7-dimethyl-3-(phenylmethyl)-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one Openeye Name: 3-benzyl-7,7-dimethyl-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one CAS Name: 7,7-dimethyl-3-(phenylmethyl)-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one IUPAC Name: 3-benzyl-7,7-dimethyl-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one Traditional Name: 3-benzyl-7,7-dimethyl-2,3,4,4a,6,8-hexahydroquinazolin-3-ium-5-one Formula: C17H23N2O+ MolecularWeight: 271.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=NC[NH+](CC2C(=O)C1)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=NC[NH+](CC2C(=O)C1)CC3=CC=CC=C3)C

InChI

InChI=1S/C17H22N2O/c1-17(2)8-15-14(16(20)9-17)11-19(12-18-15)10-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3/p+1