4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-2-ium-1-amine

Systemtic Name: 4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-2-ium-1-amine Openeye Name: 4-methyl-N-[(2-morpholinosulfonylphenyl)methyl]phthalazin-2-ium-1-amine CAS Name: 4-methyl-N-[[2-(4-morpholinylsulfonyl)phenyl]methyl]-1-phthalazin-2-iumamine IUPAC Name: 4-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-2-ium-1-amine Traditional Name: (4-methylphthalazin-2-ium-1-yl)-(2-morpholinosulfonylbenzyl)amine Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[NH+]=C(C2=CC=CC=C12)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=N[NH+]=C(C2=CC=CC=C12)NCC3=CC=CC=C3S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H22N4O3S/c1-15-17-7-3-4-8-18(17)20(23-22-15)21-14-16-6-2-5-9-19(16)28(25,26)24-10-12-27-13-11-24/h2-9H,10-14H2,1H3,(H,21,23)/p+1