(2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)ethanenitrile

Systemtic Name: (2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)ethanenitrile Openeye Name: (2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)acetonitrile CAS Name: (2R)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(4-propoxyphenyl)acetonitrile IUPAC Name: (2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)acetonitrile Traditional Name: (2R)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(4-propoxyphenyl)acetonitrile Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C#N)N2CC[NH+](CC2)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](C#N)N2CC[NH+](CC2)CC

InChI

InChI=1S/C17H25N3O/c1-3-13-21-16-7-5-15(6-8-16)17(14-18)20-11-9-19(4-2)10-12-20/h5-8,17H,3-4,9-13H2,1-2H3/p+1/t17-/m0/s1