1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidine-4-carboxamide

Systemtic Name: 1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidine-4-carboxamide Openeye Name: 1-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]-N-phenethyl-piperidine-4-carboxamide CAS Name: 1-[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-N-phenethyl-4-piperidinecarboxamide IUPAC Name: 1-[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]-N-phenethylpiperidine-4-carboxamide Traditional Name: 1-[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]-N-phenethyl-isonipecotamide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H35N3O2/c1-20-7-8-24(30-20)19-27-15-12-23(13-16-27)28-17-10-22(11-18-28)25(29)26-14-9-21-5-3-2-4-6-21/h2-8,22-23H,9-19H2,1H3,(H,26,29)/p+1