6-ethoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one

Systemtic Name: 6-ethoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-ethoxy-chromen-2-one CAS Name: 6-ethoxy-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-ethoxychromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-ethoxy-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-2-28-19-8-9-21-18(14-19)15-20(23(27)29-21)22(26)25-12-10-24(11-13-25)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3/p+1