1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-nosyl-piperazin-1-ium Formula: C22H30N4O4S+2 MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O4S/c27-26(28)21-6-8-22(9-7-21)31(29,30)25-16-14-24(15-17-25)20-10-12-23(13-11-20)18-19-4-2-1-3-5-19/h1-9,20H,10-18H2/p+2