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

Systemtic Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]azanium Openeye Name: 3-(dimethylammonio)propyl-(2-furylmethyl)-[(6-methyl-4-oxo-chromen-3-yl)methyl]ammonium CAS Name: 3-(dimethylammonio)propyl-(2-furanylmethyl)-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]ammonium IUPAC Name: 3-(dimethylazaniumyl)propyl-(furan-2-ylmethyl)-[(6-methyl-4-oxochromen-3-yl)methyl]azanium Traditional Name: 3-(dimethylammonio)propyl-(2-furfuryl)-[(4-keto-6-methyl-chromen-3-yl)methyl]ammonium Formula: C21H28N2O3+2 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+](CCC[NH+](C)C)CC3=CC=CO3

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+](CCC[NH+](C)C)CC3=CC=CO3

InChI

InChI=1S/C21H26N2O3/c1-16-7-8-20-19(12-16)21(24)17(15-26-20)13-23(10-5-9-22(2)3)14-18-6-4-11-25-18/h4,6-8,11-12,15H,5,9-10,13-14H2,1-3H3/p+2