1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

InChI

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