N-(4-methylsulfonyl-2-nitro-phenyl)-6-piperidin-1-yl-pyridin-1-ium-3-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-piperidin-1-yl-pyridin-1-ium-3-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-(1-piperidyl)pyridin-1-ium-3-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-(1-piperidinyl)-3-pyridin-1-iumamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-piperidin-1-ylpyridin-1-ium-3-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(6-piperidinopyridin-1-ium-3-yl)amine Formula: C17H21N4O4S+ MolecularWeight: 377.43804

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S/c1-26(24,25)14-6-7-15(16(11-14)21(22)23)19-13-5-8-17(18-12-13)20-9-3-2-4-10-20/h5-8,11-12,19H,2-4,9-10H2,1H3/p+1