1-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxo-ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-oxoethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-2-oxoethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-keto-2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethoxy]phenyl]propan-1-one Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O3/c1-3-21(25)18-9-11-19(12-10-18)27-16-22(26)24-14-13-23(2)15-20(24)17-7-5-4-6-8-17/h4-12,20H,3,13-16H2,1-2H3/p+1/t20-/m0/s1