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

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1-propyl-piperidin-1-ium-4-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-1-propylpiperidin-1-ium-4-amine Traditional Name: (4-mesyl-2-nitro-phenyl)-(1-propylpiperidin-1-ium-4-yl)amine Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-3-8-17-9-6-12(7-10-17)16-14-5-4-13(23(2,21)22)11-15(14)18(19)20/h4-5,11-12,16H,3,6-10H2,1-2H3/p+1