(2S)-2-(4-tert-butylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-tert-butylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2S)-2-(4-tert-butylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C17H26N3+ MolecularWeight: 272.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3/c1-17(2,3)15-7-5-14(6-8-15)16(13-18)20-11-9-19(4)10-12-20/h5-8,16H,9-12H2,1-4H3/p+1/t16-/m1/s1