methyl-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C23H28NO2S+ MolecularWeight: 382.53892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(C=C3)SC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(C=C3)SC)C(C)C

InChI

InChI=1S/C23H27NO2S/c1-15(2)20-12-21-18(11-23(25)26-22(21)10-16(20)3)14-24(4)13-17-6-8-19(27-5)9-7-17/h6-12,15H,13-14H2,1-5H3/p+1