(2R)-2-[[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methyl]pentanedinitrile

Systemtic Name: (2R)-2-[[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2R)-2-[[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methyl]pentanedinitrile CAS Name: (2R)-2-[[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2R)-2-[[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]methyl]glutaronitrile Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)CC(CCC#N)C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C[C@@H](CCC#N)C#N

InChI

InChI=1S/C18H24N4O/c19-8-4-5-17(15-20)16-22-11-9-21(10-12-22)13-14-23-18-6-2-1-3-7-18/h1-3,6-7,17H,4-5,9-14,16H2/p+1/t17-/m0/s1