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

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-6-pyrrolidin-1-yl-pyridin-1-ium-3-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-(1-pyrrolidinyl)-3-pyridin-1-iumamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(6-pyrrolidinopyridin-1-ium-3-yl)amine Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=C[NH+]=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-25(23,24)13-5-6-14(15(10-13)20(21)22)18-12-4-7-16(17-11-12)19-8-2-3-9-19/h4-7,10-11,18H,2-3,8-9H2,1H3/p+1