5-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-pentan-1-one

Systemtic Name: 5-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-pentan-1-one Openeye Name: 5-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-pentan-1-one CAS Name: 5-(4-methyl-1-piperazine-1,4-diiumyl)-1-phenyl-1-pentanone IUPAC Name: 5-(4-methylpiperazine-1,4-diium-1-yl)-1-phenylpentan-1-one Traditional Name: 5-(4-methylpiperazine-1,4-diium-1-yl)-1-phenyl-pentan-1-one Formula: C16H26N2O+2 MolecularWeight: 262.39044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCC(=O)C2=CC=CC=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-17-11-13-18(14-12-17)10-6-5-9-16(19)15-7-3-2-4-8-15/h2-4,7-8H,5-6,9-14H2,1H3/p+2