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

Systemtic Name: 2-[[5-(3-chloranyl-2-methyl-phenyl)furan-2-yl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[5-(3-chloro-2-methylphenyl)-2-furanyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methylammonio]ethyl-diethyl-ammonium Formula: C18H27ClN2O+2 MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O/c1-4-21(5-2)12-11-20-13-15-9-10-18(22-15)16-7-6-8-17(19)14(16)3/h6-10,20H,4-5,11-13H2,1-3H3/p+2