2-[[(2S)-4-[(2-cyanophenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[(2S)-4-[(2-cyanophenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[(2S)-4-[(2-cyanophenyl)methyl]-2-methyl-piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[(2S)-4-[(2-cyanophenyl)methyl]-2-methyl-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[(2S)-4-[(2-cyanophenyl)methyl]-2-methylpiperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[(2S)-4-(2-cyanobenzyl)-2-methyl-piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H23N4+ MolecularWeight: 331.43412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=CC=C3C#N

Isomeric SMILES

C[C@H]1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=CC=C3C#N

InChI

InChI=1S/C21H22N4/c1-17-14-24(15-20-8-4-2-6-18(20)12-22)10-11-25(17)16-21-9-5-3-7-19(21)13-23/h2-9,17H,10-11,14-16H2,1H3/p+1/t17-/m0/s1