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

Systemtic Name: 2-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(4-methyl-1-oxo-phthalazin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide CAS Name: 2-(4-methyl-1-oxo-2-phthalazinyl)-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]acetamide IUPAC Name: 2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(1-keto-4-methyl-phthalazin-2-yl)-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]acetamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C

InChI

InChI=1S/C21H25N5O2S/c1-14-6-5-9-25(10-14)11-16-13-29-21(22-16)23-19(27)12-26-20(28)18-8-4-3-7-17(18)15(2)24-26/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,22,23,27)/p+1/t14-/m0/s1