(4-ethyl-5-methyl-thiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethyl-5-methyl-thiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethyl-5-methyl-3-thienyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethyl-5-methyl-3-thiophenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethyl-5-methyl-3-thienyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CCC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C17H22N2O2S/c1-3-15-13(2)22-12-16(15)17(20)19-8-6-18(7-9-19)11-14-5-4-10-21-14/h4-5,10,12H,3,6-9,11H2,1-2H3/p+1