[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-ethylphenyl)thiazol-4-yl]methanone CAS Name: [2-(4-ethylphenyl)-4-thiazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-ethylphenyl)thiazol-4-yl]methanone Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3OS/c1-2-18-8-10-20(11-9-18)22-24-21(17-28-22)23(27)26-14-12-25(13-15-26)16-19-6-4-3-5-7-19/h3-11,17H,2,12-16H2,1H3/p+1