1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one

Systemtic Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one CAS Name: 1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-pyrrolidinosulfonylphenyl)propan-1-one Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-25-17-18-27(23(19-25)21-7-3-2-4-8-21)24(28)14-11-20-9-12-22(13-10-20)31(29,30)26-15-5-6-16-26/h2-4,7-10,12-13,23H,5-6,11,14-19H2,1H3/p+1/t23-/m0/s1