1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-(p-tolylsulfonyl)-4-piperidyl]azepan-1-ium CAS Name: 1-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azepan-1-ium Traditional Name: 1-(1-tosyl-4-piperidyl)azepan-1-ium Formula: C18H29N2O2S+ MolecularWeight: 337.50006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C18H28N2O2S/c1-16-6-8-18(9-7-16)23(21,22)20-14-10-17(11-15-20)19-12-4-2-3-5-13-19/h6-9,17H,2-5,10-15H2,1H3/p+1