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

Systemtic Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,3,4-trimethoxyphenyl)ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,3,4-trimethoxyphenyl)acetonitrile CAS Name: (2R)-2-(1-piperazin-4-iumyl)-2-(2,3,4-trimethoxyphenyl)acetonitrile IUPAC Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,3,4-trimethoxyphenyl)acetonitrile Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-(2,3,4-trimethoxyphenyl)acetonitrile Formula: C15H22N3O3+ MolecularWeight: 292.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C#N)N2CC[NH2+]CC2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H](C#N)N2CC[NH2+]CC2)OC)OC

InChI

InChI=1S/C15H21N3O3/c1-19-13-5-4-11(14(20-2)15(13)21-3)12(10-16)18-8-6-17-7-9-18/h4-5,12,17H,6-9H2,1-3H3/p+1/t12-/m0/s1