3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one Traditional Name: 2-methyl-3-piperonyl-5,6,7,8-tetrahydro-1H-cinnolin-2-ium-4-one Formula: C17H19N2O3+ MolecularWeight: 299.34436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=O)C2=C(N1)CCCC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=C(C(=O)C2=C(N1)CCCC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H18N2O3/c1-19-14(17(20)12-4-2-3-5-13(12)18-19)8-11-6-7-15-16(9-11)22-10-21-15/h6-7,9H,2-5,8,10H2,1H3/p+1