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

Systemtic Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Openeye Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-[4-(1-piperidylsulfonyl)phenyl]propan-1-one CAS Name: 1-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-3-[4-(1-piperidinylsulfonyl)phenyl]-1-propanone IUPAC Name: 1-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one Traditional Name: 1-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-3-(4-piperidinosulfonylphenyl)propan-1-one Formula: C25H34N3O3S+ MolecularWeight: 456.62076

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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)N4CCCCC4

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-26-18-19-28(24(20-26)22-8-4-2-5-9-22)25(29)15-12-21-10-13-23(14-11-21)32(30,31)27-16-6-3-7-17-27/h2,4-5,8-11,13-14,24H,3,6-7,12,15-20H2,1H3/p+1/t24-/m0/s1