1,3-benzodioxol-5-ylmethyl-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-4-methoxyphenyl)-2-furanyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]azanium Traditional Name: [5-(3-chloro-4-methoxy-phenyl)-2-furyl]methyl-piperonyl-ammonium Formula: C20H19ClNO4+ MolecularWeight: 372.82216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C20H18ClNO4/c1-23-18-6-3-14(9-16(18)21)17-7-4-15(26-17)11-22-10-13-2-5-19-20(8-13)25-12-24-19/h2-9,22H,10-12H2,1H3/p+1