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

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-5-phenyl-thiophen-2-yl)methanone Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-yl]-(4-methyl-5-phenyl-2-thienyl)methanone CAS Name: [4-(2-furanylmethyl)-1-piperazin-4-iumyl]-(4-methyl-5-phenyl-2-thiophenyl)methanone IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-5-phenylthiophen-2-yl)methanone Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-yl]-(4-methyl-5-phenyl-2-thienyl)methanone Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CO3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c1-16-14-19(26-20(16)17-6-3-2-4-7-17)21(24)23-11-9-22(10-12-23)15-18-8-5-13-25-18/h2-8,13-14H,9-12,15H2,1H3/p+1