4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-(4-phenyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 4-(4-phenylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-(4-phenylpiperazin-1-ium-1-yl)butyronitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)C2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3/c15-8-4-5-9-16-10-12-17(13-11-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,9-13H2/p+1