6-ethyl-4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-ethyl-4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-ethyl-4-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxychromen-2-one Traditional Name: 6-ethyl-4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxy-coumarin Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)N4CC[NH+](CC4)CC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)N4CC[NH+](CC4)CC)O

InChI

InChI=1S/C24H29N3O3/c1-3-17-13-21-18(14-24(29)30-23(21)15-22(17)28)16-25-19-5-7-20(8-6-19)27-11-9-26(4-2)10-12-27/h5-8,13-15,25,28H,3-4,9-12,16H2,1-2H3/p+1