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

Systemtic Name: 4-[[4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-[(2-methylthiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[3-[(2-methyl-4-thiazolyl)methoxy]phenyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-[(2-methylthiazol-4-yl)methoxy]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H24N4O2S/c1-18-26-22(17-31-18)16-30-23-4-2-3-21(13-23)24(29)28-11-9-27(10-12-28)15-20-7-5-19(14-25)6-8-20/h2-8,13,17H,9-12,15-16H2,1H3/p+1