3-piperazin-4-ium-1-ylcarbonyl-7-propan-2-yloxy-chromen-2-one

Systemtic Name: 3-piperazin-4-ium-1-ylcarbonyl-7-propan-2-yloxy-chromen-2-one Openeye Name: 7-isopropoxy-3-(piperazin-4-ium-1-carbonyl)chromen-2-one CAS Name: 3-[oxo(1-piperazin-4-iumyl)methyl]-7-propan-2-yloxy-1-benzopyran-2-one IUPAC Name: 3-(piperazin-4-ium-1-carbonyl)-7-propan-2-yloxychromen-2-one Traditional Name: 7-isopropoxy-3-(piperazin-4-ium-1-carbonyl)coumarin Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C17H20N2O4/c1-11(2)22-13-4-3-12-9-14(17(21)23-15(12)10-13)16(20)19-7-5-18-6-8-19/h3-4,9-11,18H,5-8H2,1-2H3/p+1