(5S)-1-[2-(phenylsulfonyl)ethyl]-5-piperidin-1-ium-1-yl-azepan-2-one

Systemtic Name: (5S)-1-[2-(phenylsulfonyl)ethyl]-5-piperidin-1-ium-1-yl-azepan-2-one Openeye Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-piperidin-1-ium-1-yl-azepan-2-one CAS Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-(1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-piperidin-1-ium-1-ylazepan-2-one Traditional Name: (5S)-1-(2-besylethyl)-5-piperidin-1-ium-1-yl-azepan-2-one Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O3S/c22-19-10-9-17(20-12-5-2-6-13-20)11-14-21(19)15-16-25(23,24)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2/p+1/t17-/m0/s1