8-methyl-7-oxidanyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C20H23N3O3+2 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C20H21N3O3/c1-14-17(24)6-5-16-15(12-19(25)26-20(14)16)13-22-8-10-23(11-9-22)18-4-2-3-7-21-18/h2-7,12,24H,8-11,13H2,1H3/p+2