2,2-diphenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile

Systemtic Name: 2,2-diphenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile Openeye Name: 2,2-diphenyl-4-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butanenitrile CAS Name: 2,2-diphenyl-4-[4-(2-thiazolyl)-1-piperazin-1-iumyl]butanenitrile IUPAC Name: 2,2-diphenyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]butanenitrile Traditional Name: 2,2-diphenyl-4-(4-thiazol-2-ylpiperazin-1-ium-1-yl)butyronitrile Formula: C23H25N4S+ MolecularWeight: 389.5364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4S/c24-19-23(20-7-3-1-4-8-20,21-9-5-2-6-10-21)11-13-26-14-16-27(17-15-26)22-25-12-18-28-22/h1-10,12,18H,11,13-17H2/p+1