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

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4H-thieno[3,2-b]pyrrole-5-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-4H-thieno[3,2-b]pyrrole-5-carboxamide Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CS4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CS4

InChI

InChI=1S/C22H27N3OS/c1-24(22(26)20-15-21-19(23-20)11-14-27-21)18-10-6-13-25(16-18)12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14-15,18,23H,5-6,9-10,12-13,16H2,1H3/p+1/t18-/m0/s1