N-methyl-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[(4-methylsulfonyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[(4-methylsulfonylpiperazin-1-ium-1-yl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[(4-mesylpiperazin-1-ium-1-yl)methyl]-N-methyl-phthalazine-1-carboxamide Formula: C16H22N5O4S+ MolecularWeight: 380.44198

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C16H21N5O4S/c1-17-15(22)14-12-5-3-4-6-13(12)16(23)21(18-14)11-19-7-9-20(10-8-19)26(2,24)25/h3-6H,7-11H2,1-2H3,(H,17,22)/p+1