(2S)-N-phenethyl-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-N-phenethyl-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-N-phenethyl-6-tetrahydrothiopyran-4-yl-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-N-phenethyl-6-(4-thianyl)-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-N-phenethyl-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-N-phenethyl-6-tetrahydrothiopyran-4-yl-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C21H31N2OS+ MolecularWeight: 359.54864

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCC3(CC2)CC3C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CSCCC1[NH+]2CCC3(CC2)C[C@@H]3C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H30N2OS/c24-20(22-11-6-17-4-2-1-3-5-17)19-16-21(19)9-12-23(13-10-21)18-7-14-25-15-8-18/h1-5,18-19H,6-16H2,(H,22,24)/p+1/t19-/m1/s1