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

Systemtic Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)acetonitrile Formula: C14H18Cl2N3+ MolecularWeight: 299.21882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3/c1-2-18-5-7-19(8-6-18)14(10-17)12-4-3-11(15)9-13(12)16/h3-4,9,14H,2,5-8H2,1H3/p+1/t14-/m1/s1