N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-4-piperidin-1-iumamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)piperidin-1-ium-4-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-piperidin-1-ium-4-yl-amine Formula: C12H18N3O4S+ MolecularWeight: 300.35402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-20(18,19)10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-3,8-9,13-14H,4-7H2,1H3/p+1