3-methyl-4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]phthalazine-1-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]phthalazine-1-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-phthalazinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c1-24-21(27)18-10-6-5-9-17(18)19(23-24)20(26)22-16-11-12-25(14-16)13-15-7-3-2-4-8-15/h2-10,16H,11-14H2,1H3,(H,22,26)/p+1/t16-/m0/s1