4-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[(2R)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[(2R)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[(2R)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzonitrile Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(COC4=CC=C(C=C4)C#N)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@H](COC4=CC=C(C=C4)C#N)O

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+1/t25-/m1/s1