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

Systemtic Name: 2-bromanyl-N-[1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-bromo-N-[1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-bromo-N-[1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-bromo-N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: 2-bromo-N-[1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-yl]benzamide Formula: C19H23BrN3O3+ MolecularWeight: 421.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2Br)CC(=O)NCC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2Br)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C19H22BrN3O3/c20-17-6-2-1-5-16(17)19(25)22-14-7-9-23(10-8-14)13-18(24)21-12-15-4-3-11-26-15/h1-6,11,14H,7-10,12-13H2,(H,21,24)(H,22,25)/p+1