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

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [(E)-cinnamyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [(E)-cinnamyl]-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H26N2+2 MolecularWeight: 246.39104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC=CC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C16H24N2/c1-17-13-10-16(11-14-17)18(2)12-6-9-15-7-4-3-5-8-15/h3-9,16H,10-14H2,1-2H3/p+2/b9-6+