[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [5-(3-chloro-2-methylphenyl)-2-furanyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [5-(3-chloro-2-methylphenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl-[3-(methylammonio)propyl]ammonium Formula: C16H23ClN2O+2 MolecularWeight: 294.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CCC[NH2+]C

Isomeric SMILES

CC1=C(C=CC=C1Cl)C2=CC=C(O2)C[NH2+]CCC[NH2+]C

InChI

InChI=1S/C16H21ClN2O/c1-12-14(5-3-6-15(12)17)16-8-7-13(20-16)11-19-10-4-9-18-2/h3,5-8,18-19H,4,9-11H2,1-2H3/p+2