4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile CAS Name: 4-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]benzonitrile IUPAC Name: 4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile Traditional Name: 4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzonitrile Formula: C16H25N3O+2 MolecularWeight: 275.3892

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H23N3O/c1-18-9-11-19(12-10-18)8-2-3-13-20-16-6-4-15(14-17)5-7-16/h4-7H,2-3,8-13H2,1H3/p+2