N-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-2-oxoethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-keto-2-[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]thio]phenyl]acetamide Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](C[C@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O2S/c1-16(25)22-18-8-10-19(11-9-18)27-15-21(26)24-13-12-23(2)14-20(24)17-6-4-3-5-7-17/h3-11,20H,12-15H2,1-2H3,(H,22,25)/p+1/t20-/m0/s1