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

Systemtic Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[4-(3-methoxyphenyl)-2-thiazolyl]-4-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-4-phenylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[4-(3-methoxyphenyl)thiazol-2-yl]-4-phenyl-piperazin-4-ium-1-carboxamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)[N+]3(CCN(CC3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-27-18-9-5-6-16(14-18)19-15-28-21(23-19)25(17-7-3-2-4-8-17)12-10-24(11-13-25)20(22)26/h2-9,14-15H,10-13H2,1H3,(H-,22,26)/p+1