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

Systemtic Name: 2,2,6,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine Openeye Name: 2,2,6,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]piperidin-1-ium-4-amine CAS Name: 2,2,6,6-tetramethyl-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitrophenyl]-4-piperidin-1-iumamine IUPAC Name: 2,2,6,6-tetramethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitrophenyl]piperidin-1-ium-4-amine Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)amine Formula: C20H35N5O4S+2 MolecularWeight: 441.588

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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)N3CC[NH+](CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H33N5O4S/c1-19(2)13-15(14-20(3,4)22-19)21-17-7-6-16(12-18(17)25(26)27)30(28,29)24-10-8-23(5)9-11-24/h6-7,12,15,21-22H,8-11,13-14H2,1-5H3/p+2