1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]-4-propyl-piperazin-4-ium CAS Name: 1-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-4-propylpiperazin-4-ium Traditional Name: 1-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]-4-propyl-piperazin-4-ium Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-3-8-20-10-12-21(13-11-20)18-7-6-17(14-19(18)23(24)25)28(26,27)22-9-4-5-16(2)15-22/h6-7,14,16H,3-5,8-13,15H2,1-2H3/p+1/t16-/m1/s1