7-ethoxy-3-piperazin-4-ium-1-ylcarbonyl-chromen-2-one

Systemtic Name: 7-ethoxy-3-piperazin-4-ium-1-ylcarbonyl-chromen-2-one Openeye Name: 7-ethoxy-3-(piperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 7-ethoxy-3-[oxo(1-piperazin-4-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7-ethoxy-3-(piperazin-4-ium-1-carbonyl)chromen-2-one Traditional Name: 7-ethoxy-3-(piperazin-4-ium-1-carbonyl)coumarin Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H18N2O4/c1-2-21-12-4-3-11-9-13(16(20)22-14(11)10-12)15(19)18-7-5-17-6-8-18/h3-4,9-10,17H,2,5-8H2,1H3/p+1