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

Systemtic Name: 4-[[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(4-ethylpiperazin-4-ium-1-yl)anilino]methyl]-7,8-dimethyl-coumarin Formula: C24H30N3O2+ MolecularWeight: 392.5139

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2/c1-4-26-11-13-27(14-12-26)21-8-6-20(7-9-21)25-16-19-15-23(28)29-24-18(3)17(2)5-10-22(19)24/h5-10,15,25H,4,11-14,16H2,1-3H3/p+1