(2S)-6-(quinoxalin-5-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide

Systemtic Name: (2S)-6-(quinoxalin-5-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide Openeye Name: (2S)-6-(quinoxalin-5-ylmethyl)-N-(2-thienylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide CAS Name: (2S)-6-(5-quinoxalinylmethyl)-N-(thiophen-2-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide IUPAC Name: (2S)-6-(quinoxalin-5-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azoniaspiro[2.5]octane-2-carboxamide Traditional Name: (2S)-6-(quinoxalin-5-ylmethyl)-N-(2-thenyl)-6-azoniaspiro[2.5]octane-2-carboxamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC12CC2C(=O)NCC3=CC=CS3)CC4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

C1C[NH+](CCC12C[C@@H]2C(=O)NCC3=CC=CS3)CC4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C22H24N4OS/c27-21(25-14-17-4-2-12-28-17)18-13-22(18)6-10-26(11-7-22)15-16-3-1-5-19-20(16)24-9-8-23-19/h1-5,8-9,12,18H,6-7,10-11,13-15H2,(H,25,27)/p+1/t18-/m1/s1