3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)propanenitrile CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)propanenitrile Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)propionitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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