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

Systemtic Name: 1-ethyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine Openeye Name: 1-ethyl-N-(4-methylsulfonyl-2-nitro-phenyl)piperidin-1-ium-4-amine CAS Name: 1-ethyl-N-(4-methylsulfonyl-2-nitrophenyl)-4-piperidin-1-iumamine IUPAC Name: 1-ethyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-1-ium-4-amine Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-(4-mesyl-2-nitro-phenyl)amine Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c1-3-16-8-6-11(7-9-16)15-13-5-4-12(22(2,20)21)10-14(13)17(18)19/h4-5,10-11,15H,3,6-9H2,1-2H3/p+1