[5-(butylcarbamoyl)furan-2-yl]methyl-[(3-methoxyphenyl)methyl]-propan-2-yl-azanium

Systemtic Name: [5-(butylcarbamoyl)furan-2-yl]methyl-[(3-methoxyphenyl)methyl]-propan-2-yl-azanium Openeye Name: [5-(butylcarbamoyl)-2-furyl]methyl-isopropyl-[(3-methoxyphenyl)methyl]ammonium CAS Name: [5-[butylamino(oxo)methyl]-2-furanyl]methyl-[(3-methoxyphenyl)methyl]-propan-2-ylammonium IUPAC Name: [5-(butylcarbamoyl)furan-2-yl]methyl-[(3-methoxyphenyl)methyl]-propan-2-ylazanium Traditional Name: [5-(butylcarbamoyl)-2-furyl]methyl-isopropyl-m-anisyl-ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC(=CC=C2)OC)C(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC(=CC=C2)OC)C(C)C

InChI

InChI=1S/C21H30N2O3/c1-5-6-12-22-21(24)20-11-10-19(26-20)15-23(16(2)3)14-17-8-7-9-18(13-17)25-4/h7-11,13,16H,5-6,12,14-15H2,1-4H3,(H,22,24)/p+1