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

Systemtic Name: 8-ethoxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-chromen-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-8-ethoxy-chromen-2-one CAS Name: 8-ethoxy-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-8-ethoxychromen-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-8-ethoxy-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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