2-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-thiazolyl)-1-piperazin-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(4-thiazol-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]benzonitrile Formula: C21H21N4S+ MolecularWeight: 361.48324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=NC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=NC=CS4

InChI

InChI=1S/C21H20N4S/c22-15-19-3-1-2-4-20(19)18-7-5-17(6-8-18)16-24-10-12-25(13-11-24)21-23-9-14-26-21/h1-9,14H,10-13,16H2/p+1