1,3-benzodioxol-5-ylmethyl-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[2-oxidanylidene-1-(pyridin-3-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[2-oxo-1-(3-pyridylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[2-oxo-1-(3-pyridinylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[2-oxo-1-(pyridin-3-ylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl]azanium Traditional Name: [2-keto-1-(3-pyridylmethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-3-yl]methyl-piperonyl-ammonium Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C=C(C(=O)N3CC4=CN=CC=C4)C[NH2+]CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C=C(C(=O)N3CC4=CN=CC=C4)C[NH2+]CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O3/c31-27-23(15-29-13-18-6-7-25-26(9-18)33-17-32-25)11-22-10-20-4-1-5-21(20)12-24(22)30(27)16-19-3-2-8-28-14-19/h2-3,6-12,14,29H,1,4-5,13,15-17H2/p+1