N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N5O2S/c1-12-6-8-24(9-7-12)10-13-11-27-19(20-13)21-18(26)16-14-4-2-3-5-15(14)17(25)23-22-16/h2-5,11-12H,6-10H2,1H3,(H,23,25)(H,20,21,26)/p+1