5,7-dimethyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 5,7-dimethyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 5,7-dimethyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 5,7-dimethyl-4-[[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 5,7-dimethyl-4-[(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)methyl]coumarin Formula: C22H32N2O2+2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC(CC3)[NH+]4CCCCC4)C

InChI

InChI=1S/C22H30N2O2/c1-16-12-17(2)22-18(14-21(25)26-20(22)13-16)15-23-10-6-19(7-11-23)24-8-4-3-5-9-24/h12-14,19H,3-11,15H2,1-2H3/p+2