4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[4-(phenylmethyl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 4-[4-(phenylmethyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 4-(4-benzylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-(4-benzylpiperazin-1-ium-1-yl)butyronitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC#N)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CC[NH+]1CCCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C15H21N3/c16-8-4-5-9-17-10-12-18(13-11-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,9-14H2/p+1