4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7-hydroxy-8-methyl-coumarin Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C23H27N3O3/c1-3-25-10-12-26(13-11-25)19-6-4-18(5-7-19)24-15-17-14-22(28)29-23-16(2)21(27)9-8-20(17)23/h4-9,14,24,27H,3,10-13,15H2,1-2H3/p+1