N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CS4

InChI

InChI=1S/C20H23N3OS/c24-20(18-13-19-17(22-18)9-12-25-19)21-16-7-4-10-23(14-16)11-8-15-5-2-1-3-6-15/h1-3,5-6,9,12-13,16,22H,4,7-8,10-11,14H2,(H,21,24)/p+1/t16-/m0/s1