1-(2-nitrophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-(2-nitrophenyl)sulfonyl-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C17H25N4O5S+ MolecularWeight: 397.4692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H24N4O5S/c18-16(22)17(19-10-4-1-5-11-19)8-12-20(13-9-17)27(25,26)15-7-3-2-6-14(15)21(23)24/h2-3,6-7H,1,4-5,8-13H2,(H2,18,22)/p+1