3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium Openeye Name: 3-(dimethylammonio)propyl-(2-furylmethyl)-[(2-isopropylpyrimidin-5-yl)methyl]ammonium CAS Name: 3-(dimethylammonio)propyl-(2-furanylmethyl)-[(2-propan-2-yl-5-pyrimidinyl)methyl]ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(2-propan-2-ylpyrimidin-5-yl)methyl]azanium Traditional Name: 3-(dimethylammonio)propyl-(2-furfuryl)-[(2-isopropylpyrimidin-5-yl)methyl]ammonium Formula: C18H30N4O+2 MolecularWeight: 318.457

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=C(C=N1)C[NH+](CCC[NH+](C)C)CC2=CC=CO2

Isomeric SMILES

CC(C)C1=NC=C(C=N1)C[NH+](CCC[NH+](C)C)CC2=CC=CO2

InChI

InChI=1S/C18H28N4O/c1-15(2)18-19-11-16(12-20-18)13-22(9-6-8-21(3)4)14-17-7-5-10-23-17/h5,7,10-12,15H,6,8-9,13-14H2,1-4H3/p+2