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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-methyl-1-oxo-phthalazin-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(4-methyl-1-oxo-2-phthalazinyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(1-keto-4-methyl-phthalazin-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)NC3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-18-21-11-5-6-12-22(21)24(30)28(26-18)17-23(29)25-20-10-7-14-27(16-20)15-13-19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-17H2,1H3,(H,25,29)/p+1/t20-/m0/s1