(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: [(R)-(4-isopropylphenyl)-(2-thienyl)methyl]-[(7-methoxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[(R)-p-cumenyl(2-thienyl)methyl]ammonium Formula: C25H26NO3S+ MolecularWeight: 420.54384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C25H25NO3S/c1-16(2)17-6-8-18(9-7-17)25(23-5-4-12-30-23)26-15-19-13-24(27)29-22-14-20(28-3)10-11-21(19)22/h4-14,16,25-26H,15H2,1-3H3/p+1/t25-/m1/s1