6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-coumarin Formula: C18H26N2O3+2 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-13-9-15-14(10-18(22)23-17(15)11-16(13)21)12-20-7-5-19(4-2)6-8-20/h9-11,21H,3-8,12H2,1-2H3/p+2