dimethyl-[3-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylcarbothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylcarbothioylamino]propyl]azanium Openeye Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammoniocarbothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonio-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azaniumylcarbothioylamino]propyl-dimethylazanium Traditional Name: 3-[(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammoniocarbothioylamino]propyl-dimethyl-ammonium Formula: C16H27N3O2S+2 MolecularWeight: 325.46948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S/c1-11-9-15(20)21-14-10-12(5-6-13(11)14)18-16(22)17-7-4-8-19(2)3/h9,14,20H,4-8,10H2,1-3H3,(H,17,22)/p+2