1-[4-[(2S)-2-ethylpiperidin-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]1CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-3-15-6-4-5-9-21(15)17-8-7-16(14-18(17)22(23)24)27(25,26)20-12-10-19(2)11-13-20/h7-8,14-15H,3-6,9-13H2,1-2H3/p+1/t15-/m0/s1