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

Systemtic Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-phenyl-4-[4-(p-tolyl)thiazol-2-yl]piperazin-4-ium-1-carboxamide CAS Name: 4-[4-(4-methylphenyl)-2-thiazolyl]-4-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-phenyl-4-[4-(p-tolyl)thiazol-2-yl]piperazin-4-ium-1-carboxamide Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-16-7-9-17(10-8-16)19-15-27-21(23-19)25(18-5-3-2-4-6-18)13-11-24(12-14-25)20(22)26/h2-10,15H,11-14H2,1H3,(H-,22,26)/p+1