(2R)-2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propanenitrile Openeye Name: (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-propanenitrile CAS Name: (2R)-2-methyl-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propanenitrile IUPAC Name: (2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-methylpropanenitrile Traditional Name: (2R)-3-(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(CN1CC[NH+](CC1)CC2=CC=CC=C2)C#N

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)C#N

InChI

InChI=1S/C15H21N3/c1-14(11-16)12-17-7-9-18(10-8-17)13-15-5-3-2-4-6-15/h2-6,14H,7-10,12-13H2,1H3/p+1/t14-/m0/s1