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

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(5-methyl-2-furyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-methyl-2-furanyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(5-methylfuran-2-yl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(5-methyl-2-furyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C27H33N2O2+ MolecularWeight: 417.56312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2/c1-22-12-13-26(31-22)21-28-17-15-25(16-18-28)27(30)29(20-24-10-6-3-7-11-24)19-14-23-8-4-2-5-9-23/h2-13,25H,14-21H2,1H3/p+1