3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(5-methyl-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(5-methyl-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 3-(dimethylammonio)propyl-(2-furylmethyl)-[(2-hydroxy-5-methyl-phenyl)methyl]ammonium CAS Name: 3-(dimethylammonio)propyl-(2-furanylmethyl)-[(2-hydroxy-5-methylphenyl)methyl]ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(2-hydroxy-5-methylphenyl)methyl]azanium Traditional Name: 3-(dimethylammonio)propyl-(2-furfuryl)-(2-hydroxy-5-methyl-benzyl)ammonium Formula: C18H28N2O2+2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C[NH+](CCC[NH+](C)C)CC2=CC=CO2

Isomeric SMILES

CC1=CC(=C(C=C1)O)C[NH+](CCC[NH+](C)C)CC2=CC=CO2

InChI

InChI=1S/C18H26N2O2/c1-15-7-8-18(21)16(12-15)13-20(10-5-9-19(2)3)14-17-6-4-11-22-17/h4,6-8,11-12,21H,5,9-10,13-14H2,1-3H3/p+2