[2,2-dimethyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]amino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-anilino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitroanilino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitroanilino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-anilino]propyl]-dimethyl-ammonium Formula: C19H33N4O4S+ MolecularWeight: 413.55472

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H32N4O4S/c1-15-7-6-10-22(12-15)28(26,27)16-8-9-17(18(11-16)23(24)25)20-13-19(2,3)14-21(4)5/h8-9,11,15,20H,6-7,10,12-14H2,1-5H3/p+1/t15-/m0/s1