methyl-[(3R,4R)-3-oxidanyl-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-1-[(E)-cinnamyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-1-[(E)-cinnamyl]-3-hydroxy-piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-24(16-12-20-11-5-6-14-23-20)21-13-17-25(18-22(21)26)15-7-10-19-8-3-2-4-9-19/h2-11,14,21-22,26H,12-13,15-18H2,1H3/p+2/b10-7+/t21-,22-/m1/s1