(2R)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-ethoxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-ethoxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-m-phenetyl-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3O/c1-2-18-13-5-3-4-12(10-13)14(11-15)17-8-6-16-7-9-17/h3-5,10,14,16H,2,6-9H2,1H3/p+1/t14-/m0/s1