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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[3-(dimethylammonio)propyl]-(2-thienylmethyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[3-(dimethylammonio)propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[3-(dimethylazaniumyl)propyl]-(thiophen-2-ylmethyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[3-(dimethylammonio)propyl]-(2-thenyl)ammonium Formula: C21H27ClN2O2S+2 MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](CCC[NH+](C)C)CC3=CC=CS3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](CCC[NH+](C)C)CC3=CC=CS3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-15-10-20-18(12-19(15)22)16(11-21(25)26-20)13-24(8-5-7-23(2)3)14-17-6-4-9-27-17/h4,6,9-12H,5,7-8,13-14H2,1-3H3/p+2