N-(4-nitrophenyl)-N'-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine

Systemtic Name: N-(4-nitrophenyl)-N'-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine Openeye Name: N-(4-nitrophenyl)-N'-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]ethane-1,2-diamine CAS Name: N-(4-nitrophenyl)-N'-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]ethane-1,2-diamine IUPAC Name: N-(4-nitrophenyl)-N'-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)ethane-1,2-diamine Traditional Name: 2-(4-nitroanilino)ethyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C18H24N5O4S+ MolecularWeight: 406.47926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O4S/c24-23(25)16-6-4-15(5-7-16)19-10-11-20-18-9-8-17(14-21-18)28(26,27)22-12-2-1-3-13-22/h4-9,14,19H,1-3,10-13H2,(H,20,21)/p+1