1-(1-benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1-benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1-benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1-benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzothiophen-2-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C24H24N4OS/c29-24(26-20-6-3-5-18(14-20)22-8-11-25-27-22)17-9-12-28(13-10-17)16-21-15-19-4-1-2-7-23(19)30-21/h1-8,11,14-15,17H,9-10,12-13,16H2,(H,25,27)(H,26,29)/p+1