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

Systemtic Name: 3-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]propyl-diethyl-ammonium Formula: C19H29ClN2O+2 MolecularWeight: 336.89936

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH2+]CC1=CC=C(O1)C2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC[NH+](CC)CCC[NH2+]CC1=CC=C(O1)C2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C19H27ClN2O/c1-4-22(5-2)13-7-12-21-14-16-10-11-19(23-16)17-8-6-9-18(20)15(17)3/h6,8-11,21H,4-5,7,12-14H2,1-3H3/p+2