3-(dimethylazaniumyl)propyl-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-(2-furylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-(2-furfuryl)ammonium Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+](CCC[NH+](C)C)CC2=CC=CO2)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+](CCC[NH+](C)C)CC2=CC=CO2)C

InChI

InChI=1S/C17H28N4O/c1-5-21-15(2)16(12-18-21)13-20(10-7-9-19(3)4)14-17-8-6-11-22-17/h6,8,11-12H,5,7,9-10,13-14H2,1-4H3/p+2