(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(2-furylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-N-(2-furanylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(1,3-benzoxazol-2-yl)-4-piperidyl]-N-(2-furfuryl)piperidin-1-ium-3-carboxamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NCC5=CC=CO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)NCC5=CC=CO5

InChI

InChI=1S/C23H28N4O3/c28-22(24-15-19-6-4-14-29-19)17-5-3-11-27(16-17)18-9-12-26(13-10-18)23-25-20-7-1-2-8-21(20)30-23/h1-2,4,6-8,14,17-18H,3,5,9-13,15-16H2,(H,24,28)/p+1/t17-/m0/s1