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

Systemtic Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-ethyl-4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-ethyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]coumarin Formula: C18H26N2O2+2 MolecularWeight: 302.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CC[NH+](CC3)CC

InChI

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