N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-27-24(30)20-8-4-3-7-19(20)21(26-27)15-23(29)25-16-22(28-13-5-6-14-28)17-9-11-18(31-2)12-10-17/h3-4,7-12,22H,5-6,13-16H2,1-2H3,(H,25,29)/p+1/t22-/m1/s1