(2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Traditional Name: (2R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propan-1-one Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H25N3O4S/c1-16(22(26)20-15-23-21-6-4-3-5-19(20)21)24-11-13-25(14-12-24)30(27,28)18-9-7-17(29-2)8-10-18/h3-10,15-16,23H,11-14H2,1-2H3/p+1/t16-/m1/s1