methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(E)-3-phenylprop-2-enyl]azanium

Systemtic Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium CAS Name: methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]ammonium Formula: C22H32N2O+2 MolecularWeight: 340.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-19-10-11-22(25-19)18-24-15-12-21(13-16-24)17-23(2)14-6-9-20-7-4-3-5-8-20/h3-11,21H,12-18H2,1-2H3/p+2/b9-6+