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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(R)-(4-ethylphenyl)-(2-thienyl)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=C3C=CC(=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)CC

InChI

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