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

Systemtic Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(2,4-dichlorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C13H16Cl2N3+ MolecularWeight: 285.19224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15Cl2N3/c1-17-4-6-18(7-5-17)13(9-16)11-3-2-10(14)8-12(11)15/h2-3,8,13H,4-7H2,1H3/p+1/t13-/m1/s1