(3S)-1-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(furan-3-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(furan-3-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(3-furoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3=COC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3=COC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c27-22(24-15-18-5-2-1-3-6-18)19-7-4-11-26(16-19)21-8-12-25(13-9-21)23(28)20-10-14-29-17-20/h1-3,5-6,10,14,17,19,21H,4,7-9,11-13,15-16H2,(H,24,27)/p+1/t19-/m0/s1