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

Systemtic Name: N-(4-methylphenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-18-7-9-20(10-8-18)24-22(28)16-27-13-11-26(12-14-27)15-21-17-29-23(25-21)19-5-3-2-4-6-19/h2-10,17H,11-16H2,1H3,(H,24,28)/p+1