3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 5,7-dimethyl-3-piperonyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C18H20NO3+ MolecularWeight: 298.3563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C[NH+](COC2=C1)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C2C[NH+](COC2=C1)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H19NO3/c1-12-5-13(2)15-9-19(10-20-17(15)6-12)8-14-3-4-16-18(7-14)22-11-21-16/h3-7H,8-11H2,1-2H3/p+1