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

Systemtic Name: 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonylbenzamide Openeye Name: 4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzamide CAS Name: 4-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]benzamide IUPAC Name: 4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzamide Traditional Name: 4-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]benzamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C22H22N4O2S/c23-20(27)16-6-8-18(9-7-16)22(28)26-12-10-25(11-13-26)14-19-15-29-21(24-19)17-4-2-1-3-5-17/h1-9,15H,10-14H2,(H2,23,27)/p+1