N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-26-14-8-11-18(26)15-24-22(28)21-19-12-6-7-13-20(19)23(29)27(25-21)16-17-9-4-3-5-10-17/h3-7,9-10,12-13,18H,2,8,11,14-16H2,1H3,(H,24,28)/p+1/t18-/m1/s1