6-chloranyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-chromen-2-one Openeye Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-chromen-2-one CAS Name: 6-chloro-4-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-5,7-dimethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethylchromen-2-one Traditional Name: 6-chloro-4-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-5,7-dimethyl-coumarin Formula: C18H25ClN2O2+2 MolecularWeight: 336.8563

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C18H23ClN2O2/c1-4-20-5-7-21(8-6-20)11-14-10-16(22)23-15-9-12(2)18(19)13(3)17(14)15/h9-10H,4-8,11H2,1-3H3/p+2