N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2S)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CC=C3Cl)[NH+]4CCCC4

InChI

InChI=1S/C22H23ClN4O2/c1-26-22(29)16-9-3-2-8-15(16)20(25-26)21(28)24-14-19(27-12-6-7-13-27)17-10-4-5-11-18(17)23/h2-5,8-11,19H,6-7,12-14H2,1H3,(H,24,28)/p+1/t19-/m1/s1