4-[(2R)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(4-benzhydrylpiperazine-1,4-diium-1-yl)-2-hydroxy-propoxy]benzonitrile Formula: C27H31N3O2+2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC(COC2=CC=C(C=C2)C#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C[C@H](COC2=CC=C(C=C2)C#N)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2/c28-19-22-11-13-26(14-12-22)32-21-25(31)20-29-15-17-30(18-16-29)27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,25,27,31H,15-18,20-21H2/p+2/t25-/m1/s1