1-[1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1-[(E)-3-(furan-2-yl)-2-methyl-prop-2-enyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1-[(E)-3-(2-furyl)-2-methyl-allyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1-[(E)-3-(2-furanyl)-2-methylprop-2-enyl]-4-piperidin-1-iumyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]piperidin-1-ium-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1-[(E)-3-(2-furyl)-2-methyl-allyl]piperidin-1-ium-4-yl]-N-(2-pyridylmethyl)isonipecotamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CO1)C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C/C(=C\C1=CC=CO1)/C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C25H34N4O2/c1-20(17-24-6-4-16-31-24)19-28-12-9-23(10-13-28)29-14-7-21(8-15-29)25(30)27-18-22-5-2-3-11-26-22/h2-6,11,16-17,21,23H,7-10,12-15,18-19H2,1H3,(H,27,30)/p+1/b20-17+