1-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]-N-propan-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]-N-propan-2-yl-piperidine-4-carboxamide Openeye Name: 1-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]-N-isopropyl-piperidine-4-carboxamide CAS Name: 1-[1-(2-benzofuranylmethyl)-4-piperidin-1-iumyl]-N-propan-2-yl-4-piperidinecarboxamide IUPAC Name: 1-[1-(1-benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]-N-propan-2-ylpiperidine-4-carboxamide Traditional Name: 1-[1-(benzofuran-2-ylmethyl)piperidin-1-ium-4-yl]-N-isopropyl-isonipecotamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)NC(=O)C1CCN(CC1)C2CC[NH+](CC2)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H33N3O2/c1-17(2)24-23(27)18-7-13-26(14-8-18)20-9-11-25(12-10-20)16-21-15-19-5-3-4-6-22(19)28-21/h3-6,15,17-18,20H,7-14,16H2,1-2H3,(H,24,27)/p+1