1,3-benzodioxol-5-ylmethyl-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-piperonyl-ammonium Formula: C20H19ClNO3+ MolecularWeight: 356.82276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClNO3/c1-13-16(3-2-4-17(13)21)18-8-6-15(25-18)11-22-10-14-5-7-19-20(9-14)24-12-23-19/h2-9,22H,10-12H2,1H3/p+1