2-[4-[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]piperazine-1,4-diium-1-yl]ethanenitrile

Systemtic Name: 2-[4-[(2S)-3-carbazol-9-yl-2-oxidanyl-propyl]piperazine-1,4-diium-1-yl]ethanenitrile Openeye Name: 2-[4-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]piperazine-1,4-diium-1-yl]acetonitrile CAS Name: 2-[4-[(2S)-3-(9-carbazolyl)-2-hydroxypropyl]-1-piperazine-1,4-diiumyl]acetonitrile IUPAC Name: 2-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazine-1,4-diium-1-yl]acetonitrile Traditional Name: 2-[4-[(2S)-3-carbazol-9-yl-2-hydroxy-propyl]piperazine-1,4-diium-1-yl]acetonitrile Formula: C21H26N4O+2 MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC#N)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC#N)C[C@H](CN2C3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C21H24N4O/c22-9-10-23-11-13-24(14-12-23)15-17(26)16-25-20-7-3-1-5-18(20)19-6-2-4-8-21(19)25/h1-8,17,26H,10-16H2/p+2/t17-/m1/s1