2-butyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-butyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-butyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one CAS Name: 2-butyl-4-[oxo-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]methyl]-1-phthalazinone IUPAC Name: 2-butyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Traditional Name: 2-butyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-carbonyl]phthalazin-1-one Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)CC4CCCO4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CC[NH+](CC3)C[C@H]4CCCO4

InChI

InChI=1S/C22H30N4O3/c1-2-3-10-26-21(27)19-9-5-4-8-18(19)20(23-26)22(28)25-13-11-24(12-14-25)16-17-7-6-15-29-17/h4-5,8-9,17H,2-3,6-7,10-16H2,1H3/p+1/t17-/m1/s1