(2S)-2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile

Systemtic Name: (2S)-2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]methyl]glutaronitrile Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)CC(CCC#N)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C19H26N4O/c1-16-5-6-19(24-2)18(12-16)15-23-10-8-22(9-11-23)14-17(13-21)4-3-7-20/h5-6,12,17H,3-4,8-11,14-15H2,1-2H3/p+1/t17-/m1/s1