N,N-diethyl-4-(3-nitropyridin-1-ium-2-yl)piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-(3-nitropyridin-1-ium-2-yl)piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-(3-nitropyridin-1-ium-2-yl)piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-(3-nitro-2-pyridin-1-iumyl)-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-(3-nitropyridin-1-ium-2-yl)piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-(3-nitropyridin-1-ium-2-yl)piperazine-1-sulfonamide Formula: C13H22N5O4S+ MolecularWeight: 344.40988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H21N5O4S/c1-3-16(4-2)23(21,22)17-10-8-15(9-11-17)13-12(18(19)20)6-5-7-14-13/h5-7H,3-4,8-11H2,1-2H3/p+1