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

Systemtic Name: 1-ethyl-4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-ethyl-4-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-3-19-9-11-20(12-10-19)17-7-6-16(13-18(17)22(23)24)27(25,26)21-8-4-5-15(2)14-21/h6-7,13,15H,3-5,8-12,14H2,1-2H3/p+1/t15-/m1/s1