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

Systemtic Name: 3-butyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-phthalazine-1-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C23H28N4O3/c1-2-3-14-27-23(29)18-10-5-4-9-17(18)21(25-27)22(28)24-16-19(20-11-8-15-30-20)26-12-6-7-13-26/h4-5,8-11,15,19H,2-3,6-7,12-14,16H2,1H3,(H,24,28)/p+1/t19-/m1/s1