N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C3=CC=CS3)[NH+]4CCCCC4

InChI

InChI=1S/C21H27N3OS/c1-23-12-9-17-14-16(7-8-18(17)23)19(24-10-3-2-4-11-24)15-22-21(25)20-6-5-13-26-20/h5-8,13-14,19H,2-4,9-12,15H2,1H3,(H,22,25)/p+1/t19-/m0/s1