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

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[(7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[(7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[(7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C23H22NO3S+ MolecularWeight: 392.49068

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S/c1-2-15-5-7-16(8-6-15)23(21-4-3-11-28-21)24-14-17-12-22(26)27-20-13-18(25)9-10-19(17)20/h3-13,23-25H,2,14H2,1H3/p+1/t23-/m1/s1