3-ethyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 3-ethyl-4-oxidanylidene-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-ethyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-ethyl-4-oxo-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-4-oxo-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=CC=C3C[NH+]4CCCC4

InChI

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