(1-cyclohexylpyrazol-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium

Systemtic Name: (1-cyclohexylpyrazol-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium Openeye Name: (1-cyclohexylpyrazol-4-yl)methyl-[3-(dimethylammonio)propyl]-(2-furylmethyl)ammonium CAS Name: (1-cyclohexyl-4-pyrazolyl)methyl-[3-(dimethylammonio)propyl]-(2-furanylmethyl)ammonium IUPAC Name: (1-cyclohexylpyrazol-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium Traditional Name: (1-cyclohexylpyrazol-4-yl)methyl-[3-(dimethylammonio)propyl]-(2-furfuryl)ammonium Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=CN(N=C2)C3CCCCC3

Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=CC=CO1)CC2=CN(N=C2)C3CCCCC3

InChI

InChI=1S/C20H32N4O/c1-22(2)11-7-12-23(17-20-10-6-13-25-20)15-18-14-21-24(16-18)19-8-4-3-5-9-19/h6,10,13-14,16,19H,3-5,7-9,11-12,15,17H2,1-2H3/p+2