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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C21H25N3O3+2 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C21H23N3O3/c1-2-15-11-17-16(12-21(26)27-19(17)13-18(15)25)14-23-7-9-24(10-8-23)20-5-3-4-6-22-20/h3-6,11-13,25H,2,7-10,14H2,1H3/p+2