(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfanyl-3-phenyl-imidazol-4-yl)carbonyl-azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfanyl-3-phenyl-imidazole-4-carbonyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[2-(methylthio)-3-phenyl-4-imidazolyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[2-(methylthio)-3-phenyl-imidazole-4-carbonyl]ammonium Formula: C21H22N3O3S+ MolecularWeight: 396.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=CN=C(N3C4=CC=CC=C4)SC)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=CN=C(N3C4=CC=CC=C4)SC)CC2OC(=C1)O

InChI

InChI=1S/C21H21N3O3S/c1-13-10-19(25)27-18-11-14(8-9-16(13)18)23-20(26)17-12-22-21(28-2)24(17)15-6-4-3-5-7-15/h3-7,10,12,18,25H,8-9,11H2,1-2H3/p+1