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

Systemtic Name: (3-methoxyphenyl)methyl-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(isopentylcarbamoyl)-2-furyl]methyl]-[(3-methoxyphenyl)methyl]ammonium CAS Name: (3-methoxyphenyl)methyl-[[5-[(3-methylbutylamino)-oxomethyl]-2-furanyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-methoxyphenyl)methyl]-[[5-(3-methylbutylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: benzyl-[[5-(isoamylcarbamoyl)-2-furyl]methyl]-m-anisyl-ammonium Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-20(2)14-15-27-26(29)25-13-12-24(31-25)19-28(17-21-8-5-4-6-9-21)18-22-10-7-11-23(16-22)30-3/h4-13,16,20H,14-15,17-19H2,1-3H3,(H,27,29)/p+1