2,2,6,6-tetramethyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine

Systemtic Name: 2,2,6,6-tetramethyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine Openeye Name: 2,2,6,6-tetramethyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine CAS Name: 2,2,6,6-tetramethyl-N-(4-methylsulfonyl-2-nitrophenyl)-4-piperidin-1-iumamine IUPAC Name: 2,2,6,6-tetramethyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-1-ium-4-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C16H25N3O4S/c1-15(2)9-11(10-16(3,4)18-15)17-13-7-6-12(24(5,22)23)8-14(13)19(20)21/h6-8,11,17-18H,9-10H2,1-5H3/p+1