(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[(4-methyl-1-piperazin-4-iumyl)amino]-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(4-methylpiperazin-4-ium-1-yl)carbamothioyl]azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[(4-methylpiperazin-4-ium-1-yl)thiocarbamoyl]ammonium Formula: C16H26N4O2S+2 MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)NN3CC[NH+](CC3)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)NN3CC[NH+](CC3)C)CC2OC(=C1)O

InChI

InChI=1S/C16H24N4O2S/c1-11-9-15(21)22-14-10-12(3-4-13(11)14)17-16(23)18-20-7-5-19(2)6-8-20/h9,14,21H,3-8,10H2,1-2H3,(H,18,23)/p+2