[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [5-(3-chloro-4-methyl-phenyl)-2-furyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [5-(3-chloro-4-methylphenyl)-2-furanyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [5-(3-chloro-4-methylphenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [5-(3-chloro-4-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=C(C=C1)C2=CC=C(O2)C[NH2+]CCC[NH2+]C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C[NH2+]CCC[NH2+]C)Cl

InChI

InChI=1S/C16H21ClN2O/c1-12-4-5-13(10-15(12)17)16-7-6-14(20-16)11-19-9-3-8-18-2/h4-7,10,18-19H,3,8-9,11H2,1-2H3/p+2