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

Systemtic Name: 7-ethyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one Openeye Name: 7-ethyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one CAS Name: 7-ethyl-4-[(4-ethyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]chromen-2-one Traditional Name: 7-ethyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]coumarin Formula: C18H25N2O2+ MolecularWeight: 301.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CC[NH+](CC3)CC

InChI

InChI=1S/C18H24N2O2/c1-3-14-5-6-16-15(12-18(21)22-17(16)11-14)13-20-9-7-19(4-2)8-10-20/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1