2-[ethanoyl(2-piperidin-1-ium-1-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[ethanoyl(2-piperidin-1-ium-1-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-phenethyl-ethanamide Openeye Name: 2-[acetyl(2-piperidin-1-ium-1-ylethyl)amino]-N-[(5-methyl-2-furyl)methyl]-N-phenethyl-acetamide CAS Name: 2-[acetyl-[2-(1-piperidin-1-iumyl)ethyl]amino]-N-[(5-methyl-2-furanyl)methyl]-N-phenethylacetamide IUPAC Name: 2-[acetyl(2-piperidin-1-ium-1-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-phenethylacetamide Traditional Name: 2-[acetyl(2-piperidin-1-ium-1-ylethyl)amino]-N-[(5-methyl-2-furyl)methyl]-N-phenethyl-acetamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)CN(CC[NH+]3CCCCC3)C(=O)C

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)CN(CC[NH+]3CCCCC3)C(=O)C

InChI

InChI=1S/C25H35N3O3/c1-21-11-12-24(31-21)19-28(16-13-23-9-5-3-6-10-23)25(30)20-27(22(2)29)18-17-26-14-7-4-8-15-26/h3,5-6,9-12H,4,7-8,13-20H2,1-2H3/p+1