8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methoxyphenyl)-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-(4-methoxyphenyl)-7-oxidanyl-chromen-2-one Openeye Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one CAS Name: 8-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-7-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-2-one IUPAC Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)chromen-2-one Traditional Name: 8-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-3-(4-methoxyphenyl)coumarin Formula: C23H28N2O4+2 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C23H26N2O4/c1-3-24-10-12-25(13-11-24)15-20-21(26)9-6-17-14-19(23(27)29-22(17)20)16-4-7-18(28-2)8-5-16/h4-9,14,26H,3,10-13,15H2,1-2H3/p+2