3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-imine Traditional Name: (4-methyl-3-piperonyl-1-oxa-3-azonia-2-azanidacyclopent-3-en-5-ylidene)amine Formula: C11H11N3O3 MolecularWeight: 233.22334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]([N-]OC1=N)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=[N+]([N-]OC1=N)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C11H11N3O3/c1-7-11(12)17-13-14(7)5-8-2-3-9-10(4-8)16-6-15-9/h2-4,12H,5-6H2,1H3