1,3-benzodioxol-5-ylmethyl-[[7-methyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[7-methyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[7-methyl-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[7-methyl-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[7-methyl-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]azanium Traditional Name: [2-keto-7-methyl-1-(2-phenoxyethyl)-3-quinolyl]methyl-piperonyl-ammonium Formula: C27H27N2O4+ MolecularWeight: 443.51428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CCOC3=CC=CC=C3)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CCOC3=CC=CC=C3)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O4/c1-19-7-9-21-15-22(17-28-16-20-8-10-25-26(14-20)33-18-32-25)27(30)29(24(21)13-19)11-12-31-23-5-3-2-4-6-23/h2-10,13-15,28H,11-12,16-18H2,1H3/p+1