1-[3-(4-nitrophenyl)sulfonyl-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium

Systemtic Name: 1-[3-(4-nitrophenyl)sulfonyl-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium Openeye Name: 1-[3-(4-nitrophenyl)sulfonyl-2-piperidin-1-ium-1-yl-propyl]piperidin-1-ium CAS Name: 1-[3-(4-nitrophenyl)sulfonyl-2-(1-piperidin-1-iumyl)propyl]piperidin-1-ium IUPAC Name: 1-[3-(4-nitrophenyl)sulfonyl-2-piperidin-1-ium-1-ylpropyl]piperidin-1-ium Traditional Name: 1-(3-nosyl-2-piperidin-1-ium-1-yl-propyl)piperidin-1-ium Formula: C19H31N3O4S+2 MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

Isomeric SMILES

C1CC[NH+](CC1)CC(CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])[NH+]3CCCCC3

InChI

InChI=1S/C19H29N3O4S/c23-22(24)17-7-9-19(10-8-17)27(25,26)16-18(21-13-5-2-6-14-21)15-20-11-3-1-4-12-20/h7-10,18H,1-6,11-16H2/p+2