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

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)[NH+]4CCCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCCC4

InChI

InChI=1S/C21H24N4O3/c1-24-21(27)16-9-4-3-8-15(16)19(23-24)20(26)22-14-17(18-10-7-13-28-18)25-11-5-2-6-12-25/h3-4,7-10,13,17H,2,5-6,11-12,14H2,1H3,(H,22,26)/p+1/t17-/m1/s1