(3-cyanophenyl)methyl-(furan-2-ylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3-cyanophenyl)methyl-(furan-2-ylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3-cyanophenyl)methyl-(2-furylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-cyanophenyl)methyl-(2-furanylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-cyanophenyl)methyl-(furan-2-ylmethyl)-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-cyanobenzyl)-(2-furfuryl)-[4-(methylcarbamoyl)benzyl]ammonium Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=CC=CC(=C2)C#N)CC3=CC=CO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=CC=CC(=C2)C#N)CC3=CC=CO3

InChI

InChI=1S/C22H21N3O2/c1-24-22(26)20-9-7-17(8-10-20)14-25(16-21-6-3-11-27-21)15-19-5-2-4-18(12-19)13-23/h2-12H,14-16H2,1H3,(H,24,26)/p+1