2-(furan-2-ylmethylsulfanyl)ethyl-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]azanium

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl]azanium Openeye Name: 2-(2-furylmethylsulfanyl)ethyl-[(6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 2-(2-furanylmethylthio)ethyl-[(7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 2-(furan-2-ylmethylsulfanyl)ethyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium Traditional Name: 2-(2-furfurylthio)ethyl-[(6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl]ammonium Formula: C21H26NO3S+ MolecularWeight: 372.50104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCSCC3=CC=CO3)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCSCC3=CC=CO3)C(C)C

InChI

InChI=1S/C21H25NO3S/c1-14(2)18-11-19-16(10-21(23)25-20(19)9-15(18)3)12-22-6-8-26-13-17-5-4-7-24-17/h4-5,7,9-11,14,22H,6,8,12-13H2,1-3H3/p+1