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

Systemtic Name: 3-[[5-(3-chloranyl-4-methyl-phenyl)furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-(3-chloro-4-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-(3-chloro-4-methylphenyl)-2-furanyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(3-chloro-4-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium Formula: C17H25ClN2O+2 MolecularWeight: 308.8462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O/c1-13-5-6-14(11-16(13)18)17-8-7-15(21-17)12-19-9-4-10-20(2)3/h5-8,11,19H,4,9-10,12H2,1-3H3/p+2