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

Systemtic Name: (2-methyl-4-phenyl-1,3-thiazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-methyl-4-phenyl-thiazol-5-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methyl-4-phenyl-5-thiazolyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methyl-4-phenyl-1,3-thiazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-methyl-4-phenyl-thiazol-5-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C20H22N3OS2+ MolecularWeight: 384.53818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=C(S1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)C4=CC=CC=C4

InChI

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