N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[[2-(morpholinosulfonylmethyl)phenyl]methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[[2-(4-morpholinylsulfonylmethyl)phenyl]methyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [2-(morpholinosulfonylmethyl)benzyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C17H21N4O5S+ MolecularWeight: 393.43744

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)CC2=CC=CC=C2CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)CC2=CC=CC=C2CNC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c22-21(23)16-6-3-7-18-17(16)19-12-14-4-1-2-5-15(14)13-27(24,25)20-8-10-26-11-9-20/h1-7H,8-13H2,(H,18,19)/p+1