dimethyl-[3-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]sulfonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-methyl-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]sulfonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[2-methyl-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]sulfonylamino]propyl]ammonium CAS Name: dimethyl-[3-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]propyl]ammonium IUPAC Name: dimethyl-[3-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]sulfonylamino]propyl]azanium Traditional Name: 3-[[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methyl-phenyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H26N4O3S/c1-15-10-11-16(14-19(15)29(27,28)22-12-7-13-24(2)3)20-17-8-5-6-9-18(17)21(26)25(4)23-20/h5-6,8-11,14,22H,7,12-13H2,1-4H3/p+1