(3-methoxyphenyl)methyl-[[5-(pentylcarbamoyl)furan-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: (3-methoxyphenyl)methyl-[[5-(pentylcarbamoyl)furan-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(3-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: (3-methoxyphenyl)methyl-[[5-[oxo-(pentylamino)methyl]-2-furanyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-methoxyphenyl)methyl]-[[5-(pentylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: [5-(amylcarbamoyl)-2-furyl]methyl-benzyl-m-anisyl-ammonium Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C26H32N2O3/c1-3-4-8-16-27-26(29)25-15-14-24(31-25)20-28(18-21-10-6-5-7-11-21)19-22-12-9-13-23(17-22)30-2/h5-7,9-15,17H,3-4,8,16,18-20H2,1-2H3,(H,27,29)/p+1