(2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: (2R)-2-[(4-nitrophenyl)thio]-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4S/c1-16(29-20-9-5-18(6-10-20)24(26)27)21(25)23-13-11-22(12-14-23)15-17-3-7-19(28-2)8-4-17/h3-10,16H,11-15H2,1-2H3/p+1/t16-/m1/s1