(2S)-N-(3-phenylpropyl)-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-N-(3-phenylpropyl)-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-N-(3-phenylpropyl)-6-tetrahydrothiopyran-4-yl-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-N-(3-phenylpropyl)-6-(4-thianyl)-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-N-(3-phenylpropyl)-6-(thian-4-yl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-N-(3-phenylpropyl)-6-tetrahydrothiopyran-4-yl-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C22H33N2OS+ MolecularWeight: 373.57522

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCC3(CC2)CC3C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1CSCCC1[NH+]2CCC3(CC2)C[C@@H]3C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C22H32N2OS/c25-21(23-12-4-7-18-5-2-1-3-6-18)20-17-22(20)10-13-24(14-11-22)19-8-15-26-16-9-19/h1-3,5-6,19-20H,4,7-17H2,(H,23,25)/p+1/t20-/m1/s1