(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)ammonium Formula: C20H26N4O2S+2 MolecularWeight: 386.51104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)N3CCN(CC3)C4=CC=CC=[NH+]4)CC2OC(=C1)O

InChI

InChI=1S/C20H24N4O2S/c1-14-12-19(25)26-17-13-15(5-6-16(14)17)22-20(27)24-10-8-23(9-11-24)18-4-2-3-7-21-18/h2-4,7,12,17,25H,5-6,8-11,13H2,1H3/p+2