(2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(4-tert-butylphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(4-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C)(C#N)N2CC[NH2+]CC2

Isomeric SMILES

C[C@](C#N)(C1=CC=C(C=C1)C(C)(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C17H25N3/c1-16(2,3)14-5-7-15(8-6-14)17(4,13-18)20-11-9-19-10-12-20/h5-8,19H,9-12H2,1-4H3/p+1/t17-/m0/s1