1-[(5-methylfuran-2-yl)methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(5-methyl-2-furyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(5-methyl-2-furanyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(5-methyl-2-furyl)methyl]-4-phenyl-piperazin-1-ium Formula: C16H21N2O+ MolecularWeight: 257.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O/c1-14-7-8-16(19-14)13-17-9-11-18(12-10-17)15-5-3-2-4-6-15/h2-8H,9-13H2,1H3/p+1