(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-piperidin-1-ium-1-ylethylcarbamothioyl)azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-piperidin-1-ium-1-ylethylcarbamothioyl)azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-piperidin-1-ium-1-ylethylcarbamothioyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[2-(1-piperidin-1-iumyl)ethylamino]-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-piperidin-1-ium-1-ylethylcarbamothioyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-piperidin-1-ium-1-ylethylthiocarbamoyl)ammonium Formula: C18H29N3O2S+2 MolecularWeight: 351.50676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)NCC[NH+]3CCCCC3)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)NCC[NH+]3CCCCC3)CC2OC(=C1)O

InChI

InChI=1S/C18H27N3O2S/c1-13-11-17(22)23-16-12-14(5-6-15(13)16)20-18(24)19-7-10-21-8-3-2-4-9-21/h11,16,22H,2-10,12H2,1H3,(H,19,24)/p+2