4-[[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-methyl-2-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-methyl-2-phenyl-thiazole-5-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H22N4OS/c1-17-21(29-22(25-17)20-5-3-2-4-6-20)23(28)27-13-11-26(12-14-27)16-19-9-7-18(15-24)8-10-19/h2-10H,11-14,16H2,1H3/p+1