1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-ethyl-piperazin-4-ium

Systemtic Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-ethyl-piperazin-4-ium Openeye Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-ethyl-piperazin-4-ium CAS Name: 1-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-ethylpiperazin-4-ium IUPAC Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-4-ethylpiperazin-4-ium Traditional Name: 1-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]-4-ethyl-piperazin-4-ium Formula: C19H31N4O4S+ MolecularWeight: 411.53884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3C[C@@H](C[C@H](C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-4-20-7-9-21(10-8-20)18-6-5-17(12-19(18)23(24)25)28(26,27)22-13-15(2)11-16(3)14-22/h5-6,12,15-16H,4,7-11,13-14H2,1-3H3/p+1/t15-,16-/m1/s1