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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)C[NH+](C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC(C)(C)C[NH+](C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H32N4O4S/c1-15-8-10-22(11-9-15)28(26,27)16-6-7-17(18(12-16)23(24)25)20-13-19(2,3)14-21(4)5/h6-7,12,15,20H,8-11,13-14H2,1-5H3/p+1