(3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(benzofuran-2-ylmethyl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-benzofuranylmethyl)-4-piperidinyl]-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1-benzofuran-2-ylmethyl)piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(benzofuran-2-ylmethyl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=CC4=CC=CC=C4O3)C(=O)NC5CC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=CC4=CC=CC=C4O3)C(=O)NC5CC5

InChI

InChI=1S/C23H31N3O2/c27-23(24-19-7-8-19)18-5-3-11-26(15-18)20-9-12-25(13-10-20)16-21-14-17-4-1-2-6-22(17)28-21/h1-2,4,6,14,18-20H,3,5,7-13,15-16H2,(H,24,27)/p+1/t18-/m0/s1