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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

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