[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(3-methylphenyl)methyl]-propan-2-yl-azanium

Systemtic Name: [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(3-methylphenyl)methyl]-propan-2-yl-azanium Openeye Name: [5-[(3,4-dimethylphenyl)carbamoyl]-2-furyl]methyl-isopropyl-(m-tolylmethyl)ammonium CAS Name: [5-[(3,4-dimethylanilino)-oxomethyl]-2-furanyl]methyl-[(3-methylphenyl)methyl]-propan-2-ylammonium IUPAC Name: [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(3-methylphenyl)methyl]-propan-2-ylazanium Traditional Name: [5-[(3,4-dimethylphenyl)carbamoyl]-2-furyl]methyl-isopropyl-(3-methylbenzyl)ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+](CC2=CC=C(O2)C(=O)NC3=CC(=C(C=C3)C)C)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+](CC2=CC=C(O2)C(=O)NC3=CC(=C(C=C3)C)C)C(C)C

InChI

InChI=1S/C25H30N2O2/c1-17(2)27(15-21-8-6-7-18(3)13-21)16-23-11-12-24(29-23)25(28)26-22-10-9-19(4)20(5)14-22/h6-14,17H,15-16H2,1-5H3,(H,26,28)/p+1