(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-(2-furfuryl)-(2-thenyl)ammonium Formula: C21H19ClNO3S+ MolecularWeight: 400.89846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](CC3=CC=CO3)CC4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](CC3=CC=CO3)CC4=CC=CS4)Cl

InChI

InChI=1S/C21H18ClNO3S/c1-14-8-20-18(10-19(14)22)15(9-21(24)26-20)11-23(12-16-4-2-6-25-16)13-17-5-3-7-27-17/h2-10H,11-13H2,1H3/p+1