4-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]morpholine

Systemtic Name: 4-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]morpholine Openeye Name: 4-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]morpholine CAS Name: 4-[4-[4-methyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-phthalazinyl]morpholine IUPAC Name: 4-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]phthalazin-1-yl]morpholine Traditional Name: 4-[4-[4-methyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]phthalazin-1-yl]morpholine Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCOCC4)S(=O)(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C24H29N5O3S/c1-18-7-8-19(17-22(18)33(30,31)29-11-9-27(2)10-12-29)23-20-5-3-4-6-21(20)24(26-25-23)28-13-15-32-16-14-28/h3-8,17H,9-16H2,1-2H3/p+1