dimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl-(thiophen-2-ylmethyl)azaniumyl]propyl]azanium

Systemtic Name: dimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl-(thiophen-2-ylmethyl)azaniumyl]propyl]azanium Openeye Name: dimethyl-[3-[(3-oxobenzo[f]chromen-1-yl)methyl-(2-thienylmethyl)ammonio]propyl]ammonium CAS Name: dimethyl-[3-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl-(thiophen-2-ylmethyl)ammonio]propyl]ammonium IUPAC Name: dimethyl-[3-[(3-oxobenzo[f]chromen-1-yl)methyl-(thiophen-2-ylmethyl)azaniumyl]propyl]azanium Traditional Name: 3-(dimethylammonio)propyl-[(3-ketobenzo[f]chromen-1-yl)methyl]-(2-thenyl)ammonium Formula: C24H28N2O2S+2 MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=CC=CS1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=CC=CS1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2O2S/c1-25(2)12-6-13-26(17-20-8-5-14-29-20)16-19-15-23(27)28-22-11-10-18-7-3-4-9-21(18)24(19)22/h3-5,7-11,14-15H,6,12-13,16-17H2,1-2H3/p+2