N,N,2-trimethyl-5-[4-[(phenylmethyl)amino]phthalazin-3-ium-1-yl]benzenesulfonamide

Systemtic Name: N,N,2-trimethyl-5-[4-[(phenylmethyl)amino]phthalazin-3-ium-1-yl]benzenesulfonamide Openeye Name: 5-[4-(benzylamino)phthalazin-3-ium-1-yl]-N,N,2-trimethyl-benzenesulfonamide CAS Name: N,N,2-trimethyl-5-[4-[(phenylmethyl)amino]-1-phthalazin-3-iumyl]benzenesulfonamide IUPAC Name: 5-[4-(benzylamino)phthalazin-3-ium-1-yl]-N,N,2-trimethylbenzenesulfonamide Traditional Name: 5-[4-(benzylamino)phthalazin-3-ium-1-yl]-N,N,2-trimethyl-benzenesulfonamide Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=N[NH+]=C(C3=CC=CC=C32)NCC4=CC=CC=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C24H24N4O2S/c1-17-13-14-19(15-22(17)31(29,30)28(2)3)23-20-11-7-8-12-21(20)24(27-26-23)25-16-18-9-5-4-6-10-18/h4-15H,16H2,1-3H3,(H,25,27)/p+1