3-butyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-butyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C24H30N4O3/c1-2-3-15-28-24(30)19-11-6-5-10-18(19)22(26-28)23(29)25-17-20(21-12-9-16-31-21)27-13-7-4-8-14-27/h5-6,9-12,16,20H,2-4,7-8,13-15,17H2,1H3,(H,25,29)/p+1/t20-/m1/s1