(5S)-5-(4-phenylpiperidin-1-ium-1-yl)-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: (5S)-5-(4-phenylpiperidin-1-ium-1-yl)-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one CAS Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-(4-phenyl-1-piperidin-1-iumyl)-2-azepanone IUPAC Name: (5S)-1-[2-(benzenesulfonyl)ethyl]-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Traditional Name: (5S)-1-(2-besylethyl)-5-(4-phenylpiperidin-1-ium-1-yl)azepan-2-one Formula: C25H33N2O3S+ MolecularWeight: 441.60612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CCC1[NH+]2CCC(CC2)C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(CC[C@H]1[NH+]2CCC(CC2)C3=CC=CC=C3)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3S/c28-25-12-11-23(26-16-13-22(14-17-26)21-7-3-1-4-8-21)15-18-27(25)19-20-31(29,30)24-9-5-2-6-10-24/h1-10,22-23H,11-20H2/p+1/t23-/m0/s1