2-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 2-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-propanenitrile CAS Name: 2-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-methylpropanenitrile Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-propionitrile Formula: C15H22N3+ MolecularWeight: 244.35528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C#N)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H21N3/c1-15(2,13-16)18-10-8-17(9-11-18)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3/p+1