1-phenyl-4-[1-(phenylmethyl)sulfonylpiperidin-4-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[1-(phenylmethyl)sulfonylpiperidin-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylsulfonyl-4-piperidyl)-4-phenyl-piperazin-1-ium CAS Name: 1-phenyl-4-[1-(phenylmethyl)sulfonyl-4-piperidinyl]piperazin-4-ium IUPAC Name: 1-(1-benzylsulfonylpiperidin-4-yl)-4-phenylpiperazin-1-ium Traditional Name: 1-(1-benzylsulfonyl-4-piperidyl)-4-phenyl-piperazin-1-ium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1[NH+]2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O2S/c26-28(27,19-20-7-3-1-4-8-20)25-13-11-22(12-14-25)24-17-15-23(16-18-24)21-9-5-2-6-10-21/h1-10,22H,11-19H2/p+1