(3-oxidanylidenebenzo[f]chromen-1-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium CAS Name: (3-oxo-1-benzo[f][1]benzopyranyl)methyl-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium Formula: C24H26N2O2S+2 MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@H](C[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3)C5=CC=CS5

InChI

InChI=1S/C24H24N2O2S/c27-23-14-18(24-19-7-2-1-6-17(19)9-10-21(24)28-23)15-25-16-20(22-8-5-13-29-22)26-11-3-4-12-26/h1-2,5-10,13-14,20,25H,3-4,11-12,15-16H2/p+2/t20-/m1/s1