(2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2S)-2-(3,5-dimethoxyphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2S)-2-(3,5-dimethoxyphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3O2+ MolecularWeight: 262.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-18-12-7-11(8-13(9-12)19-2)14(10-15)17-5-3-16-4-6-17/h7-9,14,16H,3-6H2,1-2H3/p+1/t14-/m1/s1