1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[[5-(4-chlorophenyl)-2-furanyl]methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-methyl-piperazine-1,4-diium Formula: C16H21ClN2O+2 MolecularWeight: 292.80374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN2O/c1-18-8-10-19(11-9-18)12-15-6-7-16(20-15)13-2-4-14(17)5-3-13/h2-7H,8-12H2,1H3/p+2