6-methyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 6-methyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 6-methyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 6-methyl-3-[[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 6-methyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 6-methyl-3-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromone Formula: C21H30N2O2+2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C21H28N2O2/c1-16-5-6-20-19(13-16)21(24)17(15-25-20)14-22-11-7-18(8-12-22)23-9-3-2-4-10-23/h5-6,13,15,18H,2-4,7-12,14H2,1H3/p+2