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

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C16H24N3O2+ MolecularWeight: 290.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H23N3O2/c1-4-18-7-9-19(10-8-18)14(12-17)13-5-6-15(20-2)16(11-13)21-3/h5-6,11,14H,4,7-10H2,1-3H3/p+1/t14-/m1/s1