(2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanenitrile

Systemtic Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanenitrile Openeye Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetonitrile CAS Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)acetonitrile IUPAC Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetonitrile Traditional Name: (2S)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetonitrile Formula: C13H19N3O+2 MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O/c1-15-6-8-16(9-7-15)13(10-14)11-2-4-12(17)5-3-11/h2-5,13,17H,6-9H2,1H3/p+2/t13-/m1/s1