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

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C22H27N3O3+2 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)O

InChI

InChI=1S/C22H25N3O3/c1-3-16-13-18-15(2)12-20(26)28-22(18)19(21(16)27)14-24-8-10-25(11-9-24)17-4-6-23-7-5-17/h4-7,12-13,27H,3,8-11,14H2,1-2H3/p+2