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

Systemtic Name: 1-(furan-2-ylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2-furylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2-furanylmethyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(furan-2-ylmethyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-furfuryl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidin-1-ium-4-carboxamide Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C24H33N3O2/c28-24(21-11-15-27(16-12-21)19-23-9-5-17-29-23)25-22-8-4-13-26(18-22)14-10-20-6-2-1-3-7-20/h1-3,5-7,9,17,21-22H,4,8,10-16,18-19H2,(H,25,28)/p+2/t22-/m0/s1