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

Systemtic Name: 3-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium Formula: C17H25ClN2O+2 MolecularWeight: 308.8462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O/c1-13-15(6-4-7-16(13)18)17-9-8-14(21-17)12-19-10-5-11-20(2)3/h4,6-9,19H,5,10-12H2,1-3H3/p+2