3-(dimethylazaniumyl)propyl-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 3-(dimethylazaniumyl)propyl-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 3-(dimethylammonio)propyl-[(6,7-dimethyl-2-oxo-chromen-4-yl)methyl]-(2-thienylmethyl)ammonium CAS Name: 3-(dimethylammonio)propyl-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 3-(dimethylammonio)propyl-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]-(2-thenyl)ammonium Formula: C22H30N2O2S+2 MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCC[NH+](C)C)CC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CCC[NH+](C)C)CC3=CC=CS3)C

InChI

InChI=1S/C22H28N2O2S/c1-16-11-20-18(13-22(25)26-21(20)12-17(16)2)14-24(9-6-8-23(3)4)15-19-7-5-10-27-19/h5,7,10-13H,6,8-9,14-15H2,1-4H3/p+2