(2R)-2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3,5-dimethyl-4-oxidanyl-phenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-hydroxy-3,5-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-hydroxy-3,5-dimethylphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-hydroxy-3,5-dimethylphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-hydroxy-3,5-dimethyl-phenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3O/c1-10-7-12(8-11(2)14(10)18)13(9-15)17-5-3-16-4-6-17/h7-8,13,16,18H,3-6H2,1-2H3/p+1/t13-/m0/s1