[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]carbothioyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [4-(2-furylmethyl)piperazin-4-ium-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [4-(furan-2-ylmethyl)piperazin-4-ium-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [4-(2-furfuryl)piperazin-4-ium-1-carbothioyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C20H27N3O3S+2 MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)CC4=CC=CO4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CC[NH+](CC3)CC4=CC=CO4)CC2OC(=C1)O

InChI

InChI=1S/C20H25N3O3S/c1-14-11-19(24)26-18-12-15(4-5-17(14)18)21-20(27)23-8-6-22(7-9-23)13-16-3-2-10-25-16/h2-3,10-11,18,24H,4-9,12-13H2,1H3/p+2