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

Systemtic Name: 1-ethylsulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-ethylsulfonyl-piperazin-1-ium CAS Name: 1-ethylsulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-ethylsulfonylpiperazin-1-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-esyl-piperazin-1-ium Formula: C18H31N3O2S+2 MolecularWeight: 353.52264

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H29N3O2S/c1-2-24(22,23)21-14-12-20(13-15-21)18-8-10-19(11-9-18)16-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3/p+2