1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(phenylsulfonyl)piperazine

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(phenylsulfonyl)piperazine Openeye Name: 1-(benzenesulfonyl)-4-(1-benzylpiperidin-1-ium-4-yl)piperazine CAS Name: 1-(benzenesulfonyl)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-(benzenesulfonyl)-4-(1-benzylpiperidin-1-ium-4-yl)piperazine Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-besyl-piperazine Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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