(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone CAS Name: [4-methyl-2-(3-thiophenyl)-5-thiazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-methyl-2-(3-thienyl)thiazol-5-yl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS2/c1-15-18(26-19(21-15)17-7-12-25-14-17)20(24)23-10-8-22(9-11-23)13-16-5-3-2-4-6-16/h2-7,12,14H,8-11,13H2,1H3/p+1