6-(1-benzothiophen-3-yl)-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 6-(1-benzothiophen-3-yl)-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-propan-2-yl-pyridine-3-carboxamide Openeye Name: 6-(benzothiophen-3-yl)-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-1-piperidyl]-N-isopropyl-pyridine-3-carboxamide CAS Name: 6-(1-benzothiophen-3-yl)-2-[4-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-1-piperidinyl]-N-propan-2-yl-3-pyridinecarboxamide IUPAC Name: 6-(1-benzothiophen-3-yl)-2-[4-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]piperidin-1-yl]-N-propan-2-ylpyridine-3-carboxamide Traditional Name: 6-(benzothiophen-3-yl)-N-isopropyl-2-[4-[(3S)-3-methylolpiperidin-1-ium-1-yl]piperidino]nicotinamide Formula: C28H37N4O2S+ MolecularWeight: 493.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(N=C(C=C1)C2=CSC3=CC=CC=C32)N4CCC(CC4)[NH+]5CCCC(C5)CO

Isomeric SMILES

CC(C)NC(=O)C1=C(N=C(C=C1)C2=CSC3=CC=CC=C32)N4CCC(CC4)[NH+]5CCC[C@@H](C5)CO

InChI

InChI=1S/C28H36N4O2S/c1-19(2)29-28(34)23-9-10-25(24-18-35-26-8-4-3-7-22(24)26)30-27(23)31-14-11-21(12-15-31)32-13-5-6-20(16-32)17-33/h3-4,7-10,18-21,33H,5-6,11-17H2,1-2H3,(H,29,34)/p+1/t20-/m0/s1