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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

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