(4,5-dimethylthiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4,5-dimethylthiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4,5-dimethyl-3-thienyl)-[4-(2-furylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4,5-dimethyl-3-thiophenyl)-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4,5-dimethylthiophen-3-yl)-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4,5-dimethyl-3-thienyl)-[4-(2-furfuryl)piperazin-4-ium-1-yl]methanone Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C16H20N2O2S/c1-12-13(2)21-11-15(12)16(19)18-7-5-17(6-8-18)10-14-4-3-9-20-14/h3-4,9,11H,5-8,10H2,1-2H3/p+1