4-tert-butyl-N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 4-tert-butyl-N-[1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 4-tert-butyl-N-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 4-tert-butyl-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 4-tert-butyl-N-[1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H31N3O3/c1-23(2,3)18-8-6-17(7-9-18)22(28)25-19-10-12-26(13-11-19)16-21(27)24-15-20-5-4-14-29-20/h4-9,14,19H,10-13,15-16H2,1-3H3,(H,24,27)(H,25,28)/p+1