4-[4-(4-ethylpiperazin-1-ium-1-yl)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(4-ethylpiperazin-1-ium-1-yl)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(4-ethylpiperazin-1-ium-1-yl)butoxy]benzonitrile CAS Name: 4-[4-(4-ethyl-1-piperazin-1-iumyl)butoxy]benzonitrile IUPAC Name: 4-[4-(4-ethylpiperazin-1-ium-1-yl)butoxy]benzonitrile Traditional Name: 4-[4-(4-ethylpiperazin-1-ium-1-yl)butoxy]benzonitrile Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

CCN1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H25N3O/c1-2-19-10-12-20(13-11-19)9-3-4-14-21-17-7-5-16(15-18)6-8-17/h5-8H,2-4,9-14H2,1H3/p+1