3-[[1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl]sulfanyl]oxolan-2-one

Systemtic Name: 3-[[1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl]sulfanyl]oxolan-2-one Openeye Name: 3-[(1-benzyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)sulfanyl]tetrahydrofuran-2-one CAS Name: 3-[[1-(phenylmethyl)-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl]thio]-2-oxolanone IUPAC Name: 3-[(1-benzyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)sulfanyl]oxolan-2-one Traditional Name: 3-[(1-benzyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)thio]tetrahydrofuran-2-one Formula: C17H22NO2S+ MolecularWeight: 304.42708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[N+](CC1)CC2=CC=CC=C2)SC3CCOC3=O

Isomeric SMILES

C1CCC(=[N+](CC1)CC2=CC=CC=C2)SC3CCOC3=O

InChI

InChI=1S/C17H22NO2S/c19-17-15(10-12-20-17)21-16-9-5-2-6-11-18(16)13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/q+1