2,2,6,6-tetramethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine

Systemtic Name: 2,2,6,6-tetramethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine Openeye Name: 2,2,6,6-tetramethyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperidin-1-ium-4-amine CAS Name: 2,2,6,6-tetramethyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]-4-piperidin-1-iumamine IUPAC Name: 2,2,6,6-tetramethyl-N-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperidin-1-ium-4-amine Traditional Name: [4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C21H35N4O4S+ MolecularWeight: 439.592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC([NH2+]C(C3)(C)C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3CC([NH2+]C(C3)(C)C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H34N4O4S/c1-15-8-10-24(11-9-15)30(28,29)17-6-7-18(19(12-17)25(26)27)22-16-13-20(2,3)23-21(4,5)14-16/h6-7,12,15-16,22-23H,8-11,13-14H2,1-5H3/p+1