1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C19H29N4O5S+ MolecularWeight: 425.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H28N4O5S/c1-2-16-7-5-6-10-22(16)19(24)15-20-11-13-21(14-12-20)29(27,28)18-9-4-3-8-17(18)23(25)26/h3-4,8-9,16H,2,5-7,10-15H2,1H3/p+1/t16-/m0/s1