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

Systemtic Name: 1-ethyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine Openeye Name: 1-ethyl-N-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperidin-1-ium-4-amine CAS Name: 1-ethyl-N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-4-piperidin-1-iumamine IUPAC Name: 1-ethyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperidin-1-ium-4-amine Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]amine Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-3-21-11-8-16(9-12-21)20-18-7-6-17(13-19(18)23(24)25)28(26,27)22-10-4-5-15(2)14-22/h6-7,13,15-16,20H,3-5,8-12,14H2,1-2H3/p+1/t15-/m1/s1