N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide

Systemtic Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Openeye Name: N-but-2-ynyl-N-(2-furylmethyl)-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide CAS Name: N-but-2-ynyl-N-(2-furanylmethyl)-4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]benzamide IUPAC Name: N-but-2-ynyl-N-(furan-2-ylmethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzamide Traditional Name: N-but-2-ynyl-N-(2-furfuryl)-4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxy-benzamide Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN(CC1=CC=CO1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC#CCN(CC1=CC=CO1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O3/c1-2-3-16-30(21-26-8-6-19-32-26)27(31)22-9-11-24(12-10-22)33-25-13-17-29(18-14-25)20-23-7-4-5-15-28-23/h4-12,15,19,25H,13-14,16-18,20-21H2,1H3/p+1