3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 6-methoxy-3-piperonyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C17H18NO4+ MolecularWeight: 300.32912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)OC[NH+](C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17NO4/c1-19-14-3-5-15-13(7-14)9-18(10-20-15)8-12-2-4-16-17(6-12)22-11-21-16/h2-7H,8-11H2,1H3/p+1