(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C25H26NO2S+ MolecularWeight: 404.54444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C25H25NO2S/c1-4-18-7-9-19(10-8-18)25(23-6-5-11-29-23)26-15-20-14-24(27)28-22-13-17(3)16(2)12-21(20)22/h5-14,25-26H,4,15H2,1-3H3/p+1/t25-/m1/s1