2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzenecarbonitrile Openeye Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzonitrile CAS Name: 2-[3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]benzonitrile IUPAC Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzonitrile Traditional Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzonitrile Formula: C15H23N3O+2 MolecularWeight: 261.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C#N

InChI

InChI=1S/C15H21N3O/c1-17-8-10-18(11-9-17)7-4-12-19-15-6-3-2-5-14(15)13-16/h2-3,5-6H,4,7-12H2,1H3/p+2