3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-methyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate Traditional Name: 2-methyl-3-piperonyl-5,6,7,8-tetrahydrocinnolin-2-ium-4-olate Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C2CCCCC2=N1)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=C(C(=C2CCCCC2=N1)[O-])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