(2S)-2-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]pentanedinitrile

Systemtic Name: (2S)-2-[[4-(4-methoxyphenyl)carbonylpiperidin-1-ium-1-yl]methyl]pentanedinitrile Openeye Name: (2S)-2-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]pentanedinitrile CAS Name: (2S)-2-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]pentanedinitrile IUPAC Name: (2S)-2-[[4-(4-methoxybenzoyl)piperidin-1-ium-1-yl]methyl]pentanedinitrile Traditional Name: (2S)-2-[(4-p-anisoylpiperidin-1-ium-1-yl)methyl]glutaronitrile Formula: C19H24N3O2+ MolecularWeight: 326.41276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(CCC#N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)C[C@H](CCC#N)C#N

InChI

InChI=1S/C19H23N3O2/c1-24-18-6-4-16(5-7-18)19(23)17-8-11-22(12-9-17)14-15(13-21)3-2-10-20/h4-7,15,17H,2-3,8-9,11-12,14H2,1H3/p+1/t15-/m1/s1