(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfonylphenyl)carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfonylphenyl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfonylbenzoyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(2-methylsulfonylphenyl)-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfonylbenzoyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-mesylbenzoyl)ammonium Formula: C18H20NO5S+ MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=CC=CC=C3S(=O)(=O)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=CC=CC=C3S(=O)(=O)C)CC2OC(=C1)O

InChI

InChI=1S/C18H19NO5S/c1-11-9-17(20)24-15-10-12(7-8-13(11)15)19-18(21)14-5-3-4-6-16(14)25(2,22)23/h3-6,9,15,20H,7-8,10H2,1-2H3/p+1