3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one Traditional Name: 7,7-dimethyl-3-piperonyl-1,2,3,4,6,8-hexahydroquinazolin-3-ium-5-one Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C[NH+](CN2)CC3=CC4=C(C=C3)OCO4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C[NH+](CN2)CC3=CC4=C(C=C3)OCO4)C(=O)C1)C

InChI

InChI=1S/C18H22N2O3/c1-18(2)6-14-13(15(21)7-18)9-20(10-19-14)8-12-3-4-16-17(5-12)23-11-22-16/h3-5,19H,6-11H2,1-2H3/p+1