7-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-chromen-2-one

Systemtic Name: 7-methoxy-3-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-chromen-2-one Openeye Name: 7-methoxy-3-(4-phenethylpiperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 7-methoxy-3-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-3-(4-phenethylpiperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 7-methoxy-3-(4-phenethylpiperazin-4-ium-1-carbonyl)coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-28-19-8-7-18-15-20(23(27)29-21(18)16-19)22(26)25-13-11-24(12-14-25)10-9-17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3/p+1