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

Systemtic Name: 1-methyl-4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-[(3S)-3-methyl-1-piperidyl]-3-nitro-phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-[(3S)-3-methyl-1-piperidinyl]-3-nitrophenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-[(3S)-3-methylpiperidin-1-yl]-3-nitrophenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-[(3S)-3-methylpiperidino]-3-nitro-phenyl]sulfonyl-piperazin-1-ium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O4S/c1-14-4-3-7-19(13-14)16-6-5-15(12-17(16)21(22)23)26(24,25)20-10-8-18(2)9-11-20/h5-6,12,14H,3-4,7-11,13H2,1-2H3/p+1/t14-/m0/s1