1-[1-(phenylsulfonyl)piperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(phenylsulfonyl)piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(benzenesulfonyl)-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(benzenesulfonyl)-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(benzenesulfonyl)piperidin-4-yl]azepan-1-ium Traditional Name: 1-(1-besyl-4-piperidyl)azepan-1-ium Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H26N2O2S/c20-22(21,17-8-4-3-5-9-17)19-14-10-16(11-15-19)18-12-6-1-2-7-13-18/h3-5,8-9,16H,1-2,6-7,10-15H2/p+1